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-AATRIKPKSA-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 |
|---|---|---|
| Quantum mechanical study of the ring-closing reaction of the hexatriene radical cation. | 2001 Aug 24 |
|
| 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 Apr 23 |
|
| (E,E,E)-1,6-Bis(2,4-dichlorophenyl)hexa-1,3,5-triene. | 2003 Jun |
|
| Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules. | 2004 Apr 8 |
|
| A computational strategy for geometry optimization of ionic and covalent excited states, applied to butadiene and hexatriene. | 2004 May 1 |
|
| How to promote sluggish electrocyclization of 1,3,5-hexatrienes by captodative substitution. | 2006 Aug 4 |
|
| An energetic measure of aromaticity and antiaromaticity based on the Pauling-Wheland resonance energies. | 2006 Feb 20 |
|
| (Z,E,Z)-1,6-Di-1-naphthyl-hexa-1,3,5-triene. | 2009 Jan 14 |
|
| How can we explain the stability of conjugated hydrocarbon-and heterosubstituted networks by topological descriptors? | 2010 Dec |
|
| Can (pi)6 + (pi)4 = 10? Exploring cycloaddition routes to highly unsaturated 10-membered rings. | 2010 Jun 23 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:29:41 GMT 2023
by
admin
on
Fri Dec 15 18:29:41 GMT 2023
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| Record UNII |
8C4D773AF7
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| Record Status |
Validated (UNII)
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| Record Version |
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8C4D773AF7
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5367417
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821-07-8
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