Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C6H8 |
| Molecular Weight | 80.1277 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C=C\C=C/C=C
InChI
InChIKey=AFVDZBIIBXWASR-WAYWQWQTSA-N
InChI=1S/C6H8/c1-3-5-6-4-2/h3-6H,1-2H2/b6-5-
| Molecular Formula | C6H8 |
| Molecular Weight | 80.1277 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| How can we explain the stability of conjugated hydrocarbon-and heterosubstituted networks by topological descriptors? | 2010-12 |
|
| Can (pi)6 + (pi)4 = 10? Exploring cycloaddition routes to highly unsaturated 10-membered rings. | 2010-06-23 |
|
| Control of chemical dynamics by lasers: theoretical considerations. | 2010-06-03 |
|
| Torquoselective ring closures of chiral amido trienes derived from allenamides. A tandem allene isomerization-pericyclic ring-closure-intramolecular Diels-Alder cycloaddition. | 2010-03-19 |
|
| Photochromism of diarylethene molecules and crystals. | 2010 |
|
| Closed-loop learning control of isomerization using shaped ultrafast laser pulses in the deep ultraviolet. | 2009-04-07 |
|
| Semiexperimental equilibrium structure for the C6 backbone of cis-1,3,5-hexatriene; structural evidence for greater pi-electron delocalization with increasing chain length in polyenes. | 2009-03-05 |
|
| Remarkable features of the McMurry reaction conditions in dimerization of formyl- and 2-formylvinylpurpurinimides. Electrochemistry of monomeric Ni(II) purpurinimide and the corresponding dyads. | 2009-01-16 |
|
| (Z,E,Z)-1,6-Di-1-naphthyl-hexa-1,3,5-triene. | 2009-01-14 |
|
| Excitation energies from spin-restricted ensemble-referenced Kohn-Sham method: a state-average approach. | 2008-12-18 |
|
| Extracting covalent and ionic structures from usual delocalized wave functions: the electron-expansion methodology. | 2008-09-18 |
|
| Searching for conical intersections of potential energy surfaces with the ONIOM method: application to previtamin D. | 2008-08-07 |
|
| Multiphoton control of the 1,3-cyclohexadiene ring-opening reaction in the presence of competing solvent reactions. | 2008-07-31 |
|
| Secondary orbital effect in the electrocyclic ring closure of 7-Azahepta-1,2,4,6-tetraeneA CASSCF molecular orbital study. | 2008-05-28 |
|
| Exploring the size dependence of cyclic and acyclic pi-systems on cation-pi binding. | 2008-01-28 |
|
| Analysis and prediction of absorption band shapes, fluorescence band shapes, resonance Raman intensities, and excitation profiles using the time-dependent theory of electronic spectroscopy. | 2007-10-28 |
|
| Electronic optical response of molecules in intense fields: comparison of TD-HF, TD-CIS, and TD-CIS(D) approaches. | 2007-06-28 |
|
| Crossed molecular beam studies of the reactions of allyl radicals, C3H5(X2A2), with methylacetylene (CH3CCH(X1A1)), allene (H2CCCH2(X1A1)), and their isotopomers. | 2007-06-14 |
|
| Effects of non steroidal anti-inflammatory drugs on the antioxidant defense system and the membrane functions in the rat intestine. | 2006-12-07 |
|
| Spectroscopy and femtosecond dynamics of the ring opening reaction of 1,3-cyclohexadiene. | 2006-10-07 |
|
| How to promote sluggish electrocyclization of 1,3,5-hexatrienes by captodative substitution. | 2006-08-04 |
|
| Solvent dependent conformational relaxation of cis-1,3,5-hexatriene. | 2006-08-03 |
|
| Cobalt-mediated cyclic and linear 2:1 cooligomerization of alkynes with alkenes: a DFT study. | 2006-07-05 |
|
| Spectral phase effects on nonlinear resonant photochemistry of 1,3-cyclohexadiene in solution. | 2006-03-21 |
|
| Ab initio nonadiabatic quantum dynamics of cyclohexadiene/hexatriene ultrafast photoisomerization. | 2006-02-28 |
|
| An energetic measure of aromaticity and antiaromaticity based on the Pauling-Wheland resonance energies. | 2006-02-20 |
|
| On the photophysics of all-trans polyenes: hexatriene versus octatetraene. | 2006-01-21 |
|
| Numerical simulation of nonadiabatic electron excitation in the strong field regime. 2. Linear polyene cations. | 2005-11-24 |
|
| Thermoreversible cis-cisoidal to cis-transoidal isomerization of helical dendronized polyphenylacetylenes. | 2005-11-02 |
|
| Modeling the electric field third-order nonlinear responses of an infinite aggregate of hexatriene chains using the electrostatic interaction model. | 2005-09-21 |
|
| A numerical simulation of nonadiabatic electron excitation in the strong field regime: Linear polyenes. | 2005-06-16 |
|
| Density-matrix renormalization-group algorithms with nonorthogonal orbitals and non-Hermitian operators, and applications to polyenes. | 2005-05-22 |
|
| Spectroscopic studies of oligodiacetylenes in solution and polymer film. | 2005-02-07 |
|
| A computational strategy for geometry optimization of ionic and covalent excited states, applied to butadiene and hexatriene. | 2004-05-01 |
|
| Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules. | 2004-04-08 |
|
| (E,E,E)-1,6-Bis(2,4-dichlorophenyl)hexa-1,3,5-triene. | 2003-06 |
|
| E stereoregular 1,1 and 1,3 constitutional units from 1,3-butadiene in copolymerizations catalyzed by a highly hindered c(2) symmetric metallocene. | 2003-04-23 |
|
| Novel photochromic compounds based on the 1-thienyl-2-vinylcyclopentene backbone. | 2003-04-17 |
|
| Diels-Alder Reaction of phosphaethene with 1,3-dienes: an ab initio study. | 2002-12-27 |
|
| Structural properties of a series of photochromic fluorinated indolylfulgides. | 2002-07 |
|
| Donor-acceptor oligoenes with a locked all-trans conformation: synthesis and linear and nonlinear optical properties. | 2002-04-02 |
|
| Quantum mechanical study of the ring-closing reaction of the hexatriene radical cation. | 2001-08-24 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 20:20:35 GMT 2025
by
admin
on
Mon Mar 31 20:20:35 GMT 2025
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| Record UNII |
615GD8VTZ0
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| Record Status |
Validated (UNII)
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| Record Version |
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DTXSID001015941
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615GD8VTZ0
Created by
admin on Mon Mar 31 20:20:35 GMT 2025 , Edited by admin on Mon Mar 31 20:20:35 GMT 2025
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