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Details

Stereochemistry ACHIRAL
Molecular Formula C6H10
Molecular Weight 82.1436
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 2,4-HEXADIENE, (2E,4E)-

SMILES

C\C=C\C=C\C

InChI

InChIKey=APPOKADJQUIAHP-GGWOSOGESA-N
InChI=1S/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3/b5-3+,6-4+

HIDE SMILES / InChI

Molecular Formula C6H10
Molecular Weight 82.1436
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Competition between diradical stepwise and concerted mechanisms in chalcogeno-Diels-Alder reactions: a density functional study.
2001 Jun 1
Conformational thermodynamic and kinetic parameters of methyl-substituted 1,3-butadienes.
2005 Aug 19
Metabolism of trans, trans-muconaldehyde, a cytotoxic metabolite of benzene, in mouse liver by alcohol dehydrogenase Adh1 and aldehyde reductase AKR1A4.
2006 Jan 1
The single chain limit of structural relaxation in a polyolefin blend.
2006 Jul 14
CNDOL: A fast and reliable method for the calculation of electronic properties of very large systems. Applications to retinal binding pocket in rhodopsin and gas phase porphine.
2007 Oct 14
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:59:20 GMT 2023
Edited
by admin
on Sat Dec 16 07:59:20 GMT 2023
Record UNII
8NFN12O8UQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-HEXADIENE, (2E,4E)-
Systematic Name English
2,4-HEXADIENE, (E,E)-
Systematic Name English
TRANS,TRANS-2,4-HEXADIENE
Systematic Name English
(2E,4E)-2,4-HEXADIENE
Systematic Name English
J147.953I
Code English
(E,E)-2,4-HEXADIENE
Systematic Name English
TRANS,TRANS-1,4-DIMETHYL-1,3-BUTADIENE
Systematic Name English
TRANS,TRANS-HEXA-2,4-DIENE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10859501
Created by admin on Sat Dec 16 07:59:20 GMT 2023 , Edited by admin on Sat Dec 16 07:59:20 GMT 2023
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FDA UNII
8NFN12O8UQ
Created by admin on Sat Dec 16 07:59:20 GMT 2023 , Edited by admin on Sat Dec 16 07:59:20 GMT 2023
PRIMARY
PUBCHEM
638071
Created by admin on Sat Dec 16 07:59:20 GMT 2023 , Edited by admin on Sat Dec 16 07:59:20 GMT 2023
PRIMARY
ECHA (EC/EINECS)
225-980-9
Created by admin on Sat Dec 16 07:59:20 GMT 2023 , Edited by admin on Sat Dec 16 07:59:20 GMT 2023
PRIMARY
CAS
5194-51-4
Created by admin on Sat Dec 16 07:59:20 GMT 2023 , Edited by admin on Sat Dec 16 07:59:20 GMT 2023
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