Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C6H8 |
| Molecular Weight | 80.1277 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C1CC=CC=C1
InChI
InChIKey=MGNZXYYWBUKAII-UHFFFAOYSA-N
InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2
| Molecular Formula | C6H8 |
| Molecular Weight | 80.1277 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Electrophilic aromatic substitution and single-electron transfer (SET) by the phenylium ion in the gas phase: characterization of a long-lived SET intermediate. | 2009-01 |
|
| Generation and detection of the cyclohexadienyl radical in phosphonium ionic liquids. | 2008-10-21 |
|
| Transition states for the dimerization of 1,3-cyclohexadiene: a DFT, CASPT2, and CBS-QB3 quantum mechanical investigation. | 2008-10-03 |
|
| Catalytic tuning of a phosphinoethane ligand for enhanced C-H activation. | 2008-10-01 |
|
| Emergence and visualization of an interface state during contact formation with a single molecule. | 2008-08-29 |
|
| Multiphoton control of the 1,3-cyclohexadiene ring-opening reaction in the presence of competing solvent reactions. | 2008-07-31 |
|
| Does an ethene/benzenium ion complex exist? A discrepancy between B3LYP and MP2 predictions. | 2008-07-24 |
|
| Ligand-tuned regioselectivity of a cobalt-catalyzed Diels-Alder reaction. A theoretical study. | 2008-07-16 |
|
| Cobalt-catalyzed intermolecular [2 + 2 + 2] cycloaddition for the synthesis of 1,3-cyclohexadienes. | 2008-07-04 |
|
| Nickel-catalyzed addition of C-H bonds of terminal alkynes to 1,3-dienes and styrenes. | 2008-04-23 |
|
| Iridium-catalyzed C-C coupling via transfer hydrogenation: carbonyl addition from the alcohol or aldehyde oxidation level employing 1,3-cyclohexadiene. | 2008-03-06 |
|
| Mechanism of the palladium-catalyzed carbohydroxylation of allene-substituted conjugated dienes: rationalization of the recently observed nucleophilic attack by water on a (pi-allyl)palladium intermediate. | 2008 |
|
| Revealing phenylium, phenonium, vinylenephenonium, and benzenium ions in solution. | 2008 |
|
| New insights into the reaction mechanisms of phenylium ions with benzene. | 2007-12-13 |
|
| Energetics of the allyl group. | 2007-11-09 |
|
| Role of surface dimer dynamics in creating ordered organic-semiconductor interfaces. | 2007-10-10 |
|
| Aqueous Ti(IV)-catalyzed Diels-Alder reaction. | 2007-08-04 |
|
| Enhancement of a Lewis acid-base interaction via solvation: ammonia molecules and the benzene radical cation. | 2007-07-12 |
|
| Degradation of H-acid and its derivative in aqueous solution by ionising radiation. | 2007-06 |
|
| Pyrene-benzoylthiophene exciplexes as selective catalysts for the [2+2] cycloaddition between cyclohexadiene and styrenes. | 2007-05-24 |
|
| Radical transfer hydroamination with aminated cyclohexadienes using polarity reversal catalysis: scope and limitations. | 2007-04-11 |
|
| Local ordering in liquids: solvent effects on the hyperfine couplings of the cyclohexadienyl radical. | 2007-01-11 |
|
| Direct estimate of conjugation and aromaticity in cyclic compounds with the EDA method. | 2007 |
|
| Cationic rare-earth polyhydrido complexes: synthesis, structure, and catalytic activity for the cis-1,4-selective polymerization of 1,3-cyclohexadiene. | 2006-12-11 |
|
| Radical additions of aryl iodides to arenes are facilitated by oxidative rearomatization with dioxygen. | 2006-10-25 |
|
| Dynamics of surface catalyzed reactions; the roles of surface defects, surface diffusion, and hot electrons. | 2006-10-12 |
|
| Spectroscopy and femtosecond dynamics of the ring opening reaction of 1,3-cyclohexadiene. | 2006-10-07 |
|
| Studies of the generation and pericyclic behavior of cyclic pentadienyl carbanions. Alkylation reactions as an efficient route to functionalized cis-bicyclo[3.3.0]octenes. | 2006-09-20 |
|
| The enantioselective step in the nickel-catalyzed hydrocyanation of 1,3-cyclohexadiene. | 2006-09-06 |
|
| Measuring the force of interaction between a metallic probe and a single molecule. | 2006-09-01 |
|
| Thermal reactions of 7-d- and 8-d-bicyclo[4.2.0]oct-2-enes. | 2006-08-09 |
|
| Solvent dependent conformational relaxation of cis-1,3,5-hexatriene. | 2006-08-03 |
|
| Contact formation dynamics: Mapping chemical bond formation between a molecule and a metallic probe. | 2006-08 |
|
| Regio- and stereoselective nickel-catalyzed homoallylation of aldehydes with 1,3-dienes. | 2006-07-05 |
|
| Sonochemical cycloadditions in ionic liquids. Lessons from model cases involving common dienes and carbonyl dienophiles. | 2006-07 |
|
| Hydrogen transfer in the formation and destruction of retrograde products in coal conversion. | 2006-06-01 |
|
| Hydrogenation of arenes over silica-supported catalysts that combine a grafted rhodium complex and palladium nanoparticles: evidence for substrate activation on Rh(single-site)-Pd(metal) moieties. | 2006-05-31 |
|
| Infrared and electronic spectroscopy of a model system for the nucleophilic substitution intermediate in the gas phase: the C-N valence bond formation in the benzene-ammonia cluster cation. | 2006-05-25 |
|
| Biochemical characterization and crystal structure of Synechocystis arogenate dehydrogenase provide insights into catalytic reaction. | 2006-04 |
|
| Spectral phase effects on nonlinear resonant photochemistry of 1,3-cyclohexadiene in solution. | 2006-03-21 |
|
| Concise synthesis of the neo-clerodane skeleton of teucrolivin A using a pericyclic reaction cascade. | 2006-03-03 |
|
| Photoactivated h/d exchange in tyrosine: involvement of a radical anion intermediate. | 2006-02-22 |
|
| A new approach to promoting sluggish Diels-Alder reactions: dihapto-coordination of the diene. | 2006-02-08 |
|
| Doubly protonated benzene in the gas phase. | 2006-02-02 |
|
| Spectroscopic analysis of small organic molecules: a comprehensive near-edge x-ray-absorption fine-structure study of C6-ring-containing molecules. | 2006-01-21 |
|
| A novel approach in analyzing aromaticity by homo- and isostructural reactions: an ab initio study of fluorobenzenes. | 2005-11-24 |
|
| Chemo-, regio-, and stereoselective cobalt-mediated [2+2+2] cycloaddition of alkynyl boronates to alkenes: 1,3- and 1,4-diboryl-1,3-cyclohexadienes. | 2005-11-04 |
|
| Evolution of functional cyclohexadiene-based synthetic reagents: the importance of becoming aromatic. | 2005-10 |
|
| Silatropic carbonyl ene cyclizations in the synthesis of pseudosugars and hydroxylated piperidines. | 2005-09-02 |
|
| Simulation of scanning tunneling microscope images of 1,3-cyclohexadiene bound to a silicon surface. | 2005-02-03 |
Patents
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:53:38 GMT 2025
by
admin
on
Mon Mar 31 18:53:38 GMT 2025
|
| Record UNII |
JV5W0EG5BP
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Systematic Name | English | ||
|
Preferred Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
C034005
Created by
admin on Mon Mar 31 18:53:38 GMT 2025 , Edited by admin on Mon Mar 31 18:53:38 GMT 2025
|
PRIMARY | |||
|
209-764-1
Created by
admin on Mon Mar 31 18:53:38 GMT 2025 , Edited by admin on Mon Mar 31 18:53:38 GMT 2025
|
PRIMARY | |||
|
DTXSID30862259
Created by
admin on Mon Mar 31 18:53:38 GMT 2025 , Edited by admin on Mon Mar 31 18:53:38 GMT 2025
|
PRIMARY | |||
|
592-57-4
Created by
admin on Mon Mar 31 18:53:38 GMT 2025 , Edited by admin on Mon Mar 31 18:53:38 GMT 2025
|
PRIMARY | |||
|
11605
Created by
admin on Mon Mar 31 18:53:38 GMT 2025 , Edited by admin on Mon Mar 31 18:53:38 GMT 2025
|
PRIMARY | |||
|
1,3-CYCLOHEXADIENE
Created by
admin on Mon Mar 31 18:53:38 GMT 2025 , Edited by admin on Mon Mar 31 18:53:38 GMT 2025
|
PRIMARY | |||
|
JV5W0EG5BP
Created by
admin on Mon Mar 31 18:53:38 GMT 2025 , Edited by admin on Mon Mar 31 18:53:38 GMT 2025
|
PRIMARY | |||
|
37610
Created by
admin on Mon Mar 31 18:53:38 GMT 2025 , Edited by admin on Mon Mar 31 18:53:38 GMT 2025
|
PRIMARY |