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Details

Stereochemistry ACHIRAL
Molecular Formula C11H20O2
Molecular Weight 184.2753
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-HEXENYL ISOVALERATE, (3E)-

SMILES

CC\C=C\CCOC(=O)CC(C)C

InChI

InChIKey=AIQLNKITFBJPFO-AATRIKPKSA-N
InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5+

HIDE SMILES / InChI

Molecular Formula C11H20O2
Molecular Weight 184.2753
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 11:39:41 GMT 2023
Edited
by admin
on Sat Dec 16 11:39:41 GMT 2023
Record UNII
36742BAP40
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HEXENYL ISOVALERATE, (3E)-
Systematic Name English
BUTANOIC ACID, 3-METHYL-, (3E)-3-HEXEN-1-YL ESTER
Systematic Name English
3-HEXENYL 3-METHYLBUTANOATE, (3E)-
Systematic Name English
BUTANOIC ACID, 3-METHYL-, (3E)-3-HEXENYL ESTER
Systematic Name English
BUTANOIC ACID, 3-METHYL-, 3-HEXENYL ESTER, (E)-
Systematic Name English
Code System Code Type Description
PUBCHEM
6154324
Created by admin on Sat Dec 16 11:39:41 GMT 2023 , Edited by admin on Sat Dec 16 11:39:41 GMT 2023
PRIMARY
CAS
88296-26-8
Created by admin on Sat Dec 16 11:39:41 GMT 2023 , Edited by admin on Sat Dec 16 11:39:41 GMT 2023
PRIMARY
FDA UNII
36742BAP40
Created by admin on Sat Dec 16 11:39:41 GMT 2023 , Edited by admin on Sat Dec 16 11:39:41 GMT 2023
PRIMARY