U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H14O
Molecular Weight 126.1962
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3,4-Dimethyl-3-hexen-2-one, (3E)-

SMILES

CC\C(C)=C(/C)C(C)=O

InChI

InChIKey=WRHRFVOAEDXVPC-VOTSOKGWSA-N
InChI=1S/C8H14O/c1-5-6(2)7(3)8(4)9/h5H2,1-4H3/b7-6+

HIDE SMILES / InChI

Molecular Formula C8H14O
Molecular Weight 126.1962
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:59:50 GMT 2025
Edited
by admin
on Mon Mar 31 22:59:50 GMT 2025
Record UNII
CD2JG4J2CR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Hexen-2-one, 3,4-dimethyl-, (3E)-
Preferred Name English
3,4-Dimethyl-3-hexen-2-one, (3E)-
Systematic Name English
(3E)-3,4-Dimethyl-3-hexen-2-one
Systematic Name English
3-Hexen-2-one, 3,4-dimethyl-, (E)-
Systematic Name English
Code System Code Type Description
CAS
20685-46-5
Created by admin on Mon Mar 31 22:59:50 GMT 2025 , Edited by admin on Mon Mar 31 22:59:50 GMT 2025
PRIMARY
FDA UNII
CD2JG4J2CR
Created by admin on Mon Mar 31 22:59:50 GMT 2025 , Edited by admin on Mon Mar 31 22:59:50 GMT 2025
PRIMARY
PUBCHEM
5363236
Created by admin on Mon Mar 31 22:59:50 GMT 2025 , Edited by admin on Mon Mar 31 22:59:50 GMT 2025
PRIMARY