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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H18O2
Molecular Weight 170.2487
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ETHYL 4-OCTENOATE, (4E)-

SMILES

CCC\C=C\CCC(=O)OCC

InChI

InChIKey=WRUZCQAJIHSQPL-VOTSOKGWSA-N
InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+

HIDE SMILES / InChI

Molecular Formula C10H18O2
Molecular Weight 170.2487
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 Sat Dec 16 11:37:31 GMT 2023
Edited
by admin
on Sat Dec 16 11:37:31 GMT 2023
Record UNII
520VPR9S7Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL 4-OCTENOATE, (4E)-
Systematic Name English
ETHYL 4-OCTENOATE, (E)-
Systematic Name English
4-OCTENOIC ACID, ETHYL ESTER, (4E)-
Systematic Name English
Code System Code Type Description
FDA UNII
520VPR9S7Q
Created by admin on Sat Dec 16 11:37:31 GMT 2023 , Edited by admin on Sat Dec 16 11:37:31 GMT 2023
PRIMARY
CAS
78989-37-4
Created by admin on Sat Dec 16 11:37:31 GMT 2023 , Edited by admin on Sat Dec 16 11:37:31 GMT 2023
PRIMARY
PUBCHEM
5352799
Created by admin on Sat Dec 16 11:37:31 GMT 2023 , Edited by admin on Sat Dec 16 11:37:31 GMT 2023
PRIMARY
ECHA (EC/EINECS)
279-035-0
Created by admin on Sat Dec 16 11:37:31 GMT 2023 , Edited by admin on Sat Dec 16 11:37:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID70888554
Created by admin on Sat Dec 16 11:37:31 GMT 2023 , Edited by admin on Sat Dec 16 11:37:31 GMT 2023
PRIMARY