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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H26O2
Molecular Weight 226.355
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-Hexenyl octanoate, (3E)-

SMILES

CCCCCCCC(=O)OCC\C=C\CC

InChI

InChIKey=DYIDDAHHUMHEEQ-SOFGYWHQSA-N
InChI=1S/C14H26O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h6,8H,3-5,7,9-13H2,1-2H3/b8-6+

HIDE SMILES / InChI

Molecular Formula C14H26O2
Molecular Weight 226.355
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 20:12:13 GMT 2023
Edited
by admin
on Sat Dec 16 20:12:13 GMT 2023
Record UNII
B426XSA7E7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Hexenyl octanoate, (3E)-
Systematic Name English
trans-3-Hexenyl octanoate
Systematic Name English
(E)-3-Hexenyl octanoate
Systematic Name English
3-Hexenyl octanoate, (E)-
Systematic Name English
(3E)-3-Hexen-1-yl octanoate
Systematic Name English
Octanoic acid, 3-hexen-1-yl ester
Systematic Name English
3-Hexen-1-yl octanoate
Systematic Name English
Octanoic acid, 3-hexenyl ester, (E)-
Systematic Name English
3-Hexenyl octanoate, trans-
Common Name English
Octanoic acid, (3E)-3-hexen-1-yl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
6366125
Created by admin on Sat Dec 16 20:12:13 GMT 2023 , Edited by admin on Sat Dec 16 20:12:13 GMT 2023
PRIMARY
CAS
87619-90-7
Created by admin on Sat Dec 16 20:12:13 GMT 2023 , Edited by admin on Sat Dec 16 20:12:13 GMT 2023
PRIMARY
CAS
2307876-95-3
Created by admin on Sat Dec 16 20:12:13 GMT 2023 , Edited by admin on Sat Dec 16 20:12:13 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
B426XSA7E7
Created by admin on Sat Dec 16 20:12:13 GMT 2023 , Edited by admin on Sat Dec 16 20:12:13 GMT 2023
PRIMARY