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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H12O
Molecular Weight 124.1803
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1,5-OCTADIEN-3-ONE, (5Z)-

SMILES

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

InChI

InChIKey=VWYBQOFZVSNDAW-WAYWQWQTSA-N
InChI=1S/C8H12O/c1-3-5-6-7-8(9)4-2/h4-6H,2-3,7H2,1H3/b6-5-

HIDE SMILES / InChI

Molecular Formula C8H12O
Molecular Weight 124.1803
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 Fri Dec 15 21:28:08 GMT 2023
Edited
by admin
on Fri Dec 15 21:28:08 GMT 2023
Record UNII
5224B73P1O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,5-OCTADIEN-3-ONE, (5Z)-
Systematic Name English
1,5-OCTADIEN-3-ONE [FHFI]
Common Name English
(Z)-1,5-OCTADIEN-3-ONE
Systematic Name English
CIS-1,5-OCTADIEN-3-ONE
Systematic Name English
1,5-OCTADIEN-3-ONE, (Z)-
Systematic Name English
FEMA NO. 4405
Code English
Code System Code Type Description
CAS
134380-41-9
Created by admin on Fri Dec 15 21:28:08 GMT 2023 , Edited by admin on Fri Dec 15 21:28:08 GMT 2023
ALTERNATIVE
JECFA MONOGRAPH
1826
Created by admin on Fri Dec 15 21:28:08 GMT 2023 , Edited by admin on Fri Dec 15 21:28:08 GMT 2023
PRIMARY
PUBCHEM
6429343
Created by admin on Fri Dec 15 21:28:08 GMT 2023 , Edited by admin on Fri Dec 15 21:28:08 GMT 2023
PRIMARY
FDA UNII
5224B73P1O
Created by admin on Fri Dec 15 21:28:08 GMT 2023 , Edited by admin on Fri Dec 15 21:28:08 GMT 2023
PRIMARY
CAS
65767-22-8
Created by admin on Fri Dec 15 21:28:08 GMT 2023 , Edited by admin on Fri Dec 15 21:28:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID101017502
Created by admin on Fri Dec 15 21:28:08 GMT 2023 , Edited by admin on Fri Dec 15 21:28:08 GMT 2023
PRIMARY