1,4-CYCLOHEXADIENE

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

Structure Search

SMILES

C1C=CCC=C1

InChI

InChIKey=UVJHQYIOXKWHFD-UHFFFAOYSA-N

InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2

HIDE SMILES / InChI

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
Chiral version of the Burgess reagent and its reactions with oxiranes: application to the formal enantiodivergent synthesis of balanol.	2008-03	18205317
Chirality sensing of fullerenes using cyclic hosts having a chiral N-substituted porphyrin: a remote substituent effect.	2008-03	17806091
Single-step electron transfer on the nanometer scale: ultra-fast charge shift in strongly coupled zinc porphyrin-gold porphyrin dyads.	2008	18266303
A two-state reactivity rationale for counterintuitive axial ligand effects on the C-H activation reactivity of nonheme FeIV=O oxidants.	2008	18186094
On the mechanism and kinetics of radical reactions of epoxyketones and epoxynitriles induced by titanocene chloride.	2007-12-21	18044915
Fluorescent and affinity-based tools to detect cysteine sulfenic acid formation in proteins.	2007-11-23	18030992
Molecular magnetic properties of heteroporphyrins: a theoretical analysis.	2007-11-14	17960251
Energetics of the allyl group.	2007-11-09	17924695
Hydrogen atom transfer reactions of imido manganese(V) corrole: one reaction with two mechanistic pathways.	2007-09-19	17718564
Iodocyclization reactions for the desymmetrization of cyclohexa-1,4-dienes.	2007-08-30	17676860
Aqueous Ti(IV)-catalyzed Diels-Alder reaction.	2007-08-04	17960081
Pyramidal inversion mechanism of simple chiral and achiral sulfoxides: a theoretical study.	2007-07	17508397
Spectroscopic investigation on the interaction of J-aggregate with human serum albumin.	2007-07	17482339
N,N-Di(4-halophenyl)nitrenium ions: nucleophilic trapping, aromatic substitution, and hydrogen atom transfer.	2007-06-22	17536861
Stereoselectivity in Diels-Alder reactions of diene-substituted N-alkoxycarbonyl-1,2-dihydropyridines.	2007-04-27	17394357
Tetrachelate porphyrin chromophores for metal oxide semiconductor sensitization: effect of the spacer length and anchoring group position.	2007-04-18	17385856
meso-Aryl-substituted subporphyrins: synthesis, structures, and large substituent effects on their electronic properties.	2007-04-18	17381092
Synthesis of multiply substituted alkylidene silacyclohexadiene derivatives via palladium-catalyzed insertion of alkynes into alkylidene silacyclobutenes.	2007-04-13	17371073
Synthesis of novel N-linked porphyrin-phthalocyanine dyads.	2007-04-12	17378573
[Study on enantioselectivity of celluloses derived by phenylcarbamate at 2,3- or 2,3,6-positions].	2007-03	17580686
Effects of porphyrin substituents on film structure and photoelectrochemical properties of porphyrin/fullerene composite clusters electrophoretically deposited on nanostructured SnO2 electrodes.	2007	17955553
Concise asymmetric total synthesis of scyphostatin, a potent inhibitor of neutral sphingomyelinase.	2007	17907134
Total synthesis of the chlorinated marine natural product dysamide B.	2006-11-09	17078728
Dynamics of surface catalyzed reactions; the roles of surface defects, surface diffusion, and hot electrons.	2006-10-12	17020389
Energy and electron transfer in beta-alkynyl-linked porphyrin-[60]fullerene dyads.	2006-07-27	16854114
Hydrogen atom abstraction by a high-valent manganese(V)-oxo corrolazine.	2006-06-26	16780334
Ionizing radiation-induced destruction of benzene and dienes in aqueous media.	2006-05-01	16719115
Isocyanate-, isothiocyanate-, urea-, and thiourea-substituted boron dipyrromethene dyes as fluorescent probes.	2006-04-14	16599605
Intramolecular bromo-amination of 1,4-cyclohexadiene aminal: one-pot discrimination of two olefins and concise asymmetric synthesis of (-)-gamma-lycorane.	2006-02-28	16479282
A new approach to promoting sluggish Diels-Alder reactions: dihapto-coordination of the diene.	2006-02-08	16448094
Ortho effect in the Bergman cyclization: comparison of experimental approaches and dissection of cycloaromatization kinetics.	2006-02-03	16438508
Doubly protonated benzene in the gas phase.	2006-02-02	16435828
Spectroscopic analysis of small organic molecules: a comprehensive near-edge x-ray-absorption fine-structure study of C6-ring-containing molecules.	2006-01-21	16438578
A transition-metal-catalyzed enediyne cycloaromatization.	2005-11-30	16305190
Carbon-to-metal hydrogen atom transfer: direct observation using time-resolved infrared spectroscopy.	2005-11-16	16277493
Reversible penta- and hexacoordination motifs in [Co(TMPP)] resulting in interchange of 1D and 2D supramolecular designs.	2005-10-17	16212342
Photophysical properties of a series of free-base corroles.	2005-08-25	16834109
Probing weak molecular orbital interactions in non-conjugated diene molecules by means of near-edge X-ray absorption spectroscopy.	2005-08-25	16834105
A terminal Ni(III)-imide with diverse reactivity pathways.	2005-08-17	16089446
Bergman cyclization of sterically hindered substrates and observation of phenyl-shifted products.	2005-07-20	16011338
Local structure of nitrogen atoms in a porphine ring of mesophenyl substituted porphyrin with an electron-withdrawing group using X-ray photoelectron spectroscopy and X-ray absorption spectroscopy.	2005-06	15984197
The development and characterisation of porphyrin isothiocyanate-monoclonal antibody conjugates for photoimmunotherapy.	2005-04-25	15812551
Triplet acetylenes as synthetic equivalents of 1,2-bicarbenes: phantom n,pi state controls reactivity in triplet photocycloaddition.	2005-03-30	15783209
Dienophile twisting and substituent effects influence reaction rates of intramolecular Diels-Alder cycloadditions: a DFT study.	2005-03-23	15771490
DABCO-directed self-assembly of bisporphyrins (DABCO=1,4-diazabicyclo[2.2.2]octane).	2005-03-18	15714460
1,4-Addition of benzene to a dihydrocyclopent[a]indene diradical: synthesis and DFT study.	2005-03-04	15730313
(E)-Phenyl- and -heteroaryl-substituted O-benzoyl-(or acyl)oximes as lipoprotein-associated phospholipase A2 inhibitors.	2005-03-01	15713421
Electronic structure analysis of iron(III)-porphyrin complexes by X-ray absorption spectra at the C, N and Fe K-edges.	2005-03	15790118
Application of photochemical decarbonylation of cyclopropenones for the in situ generation of reactive enediynes. Construction of a cyclopropenone-containing enediyne precursor by using a cyclopropenone acetal building block.	2005-02-18	15704964
Controlling both ground- and excited-state thermal barriers to Bergman cyclization with alkyne termini substitution.	2005-01-19	15643844

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:13:49 GMT 2025` Edited by `admin` on `Mon Mar 31 19:13:49 GMT 2025`
Record UNII	0F8Z5909QZ
Record Status	`Validated (UNII)`
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Name

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Language

1,4-CYCLOHEXADIENE

Preferred Name

English

Code System Code Type Description

CHEBI

37611