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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 Buten-2-yl hexanoate

SMILES

CCCCCC(=O)OC\C=C\C

InChI

InChIKey=GVNVILDVKWMWLW-GQCTYLIASA-N
InChI=1S/C10H18O2/c1-3-5-7-8-10(11)12-9-6-4-2/h4,6H,3,5,7-9H2,1-2H3/b6-4+

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 Wed Apr 02 11:18:56 GMT 2025
Edited
by admin
on Wed Apr 02 11:18:56 GMT 2025
Record UNII
JS5U783RBU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Hexanoic acid, 2-butenyl ester
Preferred Name English
Buten-2-yl hexanoate
Systematic Name English
2-Buten-1-yl hexanoate
Systematic Name English
Hexanoic acid, 2-buten-1-yl ester
Systematic Name English
Code System Code Type Description
CAS
94291-54-0
Created by admin on Wed Apr 02 11:18:56 GMT 2025 , Edited by admin on Wed Apr 02 11:18:56 GMT 2025
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FDA UNII
JS5U783RBU
Created by admin on Wed Apr 02 11:18:56 GMT 2025 , Edited by admin on Wed Apr 02 11:18:56 GMT 2025
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PUBCHEM
5369196
Created by admin on Wed Apr 02 11:18:56 GMT 2025 , Edited by admin on Wed Apr 02 11:18:56 GMT 2025
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EPA CompTox
DTXSID401015898
Created by admin on Wed Apr 02 11:18:56 GMT 2025 , Edited by admin on Wed Apr 02 11:18:56 GMT 2025
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