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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H20O2
Molecular Weight 172.2646
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pentyl (2S)-2-methylbutanoate

SMILES

CCCCCOC(=O)[C@@H](C)CC

InChI

InChIKey=RHNBXPIJLXBHMF-VIFPVBQESA-N
InChI=1S/C10H20O2/c1-4-6-7-8-12-10(11)9(3)5-2/h9H,4-8H2,1-3H3/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H20O2
Molecular Weight 172.2646
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:21:43 GMT 2025
Edited
by admin
on Wed Apr 02 19:21:43 GMT 2025
Record UNII
ZY3FLM52XQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Butanoic acid, 2-methyl-, pentyl ester, (2S)-
Preferred Name English
Pentyl (2S)-2-methylbutanoate
Systematic Name English
Code System Code Type Description
PUBCHEM
54267077
Created by admin on Wed Apr 02 19:21:43 GMT 2025 , Edited by admin on Wed Apr 02 19:21:43 GMT 2025
PRIMARY
FDA UNII
ZY3FLM52XQ
Created by admin on Wed Apr 02 19:21:43 GMT 2025 , Edited by admin on Wed Apr 02 19:21:43 GMT 2025
PRIMARY
CAS
144831-69-6
Created by admin on Wed Apr 02 19:21:43 GMT 2025 , Edited by admin on Wed Apr 02 19:21:43 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
ENANTIOMER -> ENANTIOMER