Methyl 3-oxohexanoate

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H12O3
Molecular Weight	144.1684
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl 3-oxohexanoate

Structure Search

SMILES

CCCC(=O)CC(=O)OC

InChI

InChIKey=SJPCQNABHNCLPB-UHFFFAOYSA-N

InChI=1S/C7H12O3/c1-3-4-6(8)5-7(9)10-2/h3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C7H12O3
Molecular Weight	144.1684
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:56:54 GMT 2025` Edited by `admin` on `Tue Apr 01 16:56:54 GMT 2025`
Record UNII	T2JEP7CFU9
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-Oxohexanoic acid methyl ester

Preferred Name

English

Methyl 3-oxohexanoate

Systematic Name

English

Methyl 3-oxocaproate

Systematic Name

English

Hexanoic acid, 3-oxo-, methyl ester

Systematic Name

English

Caproic acid, ?-oxo-, methyl ester

Systematic Name

English

Code System Code Type Description

PUBCHEM

121700

Created by admin on Tue Apr 01 16:56:54 GMT 2025 , Edited by admin on Tue Apr 01 16:56:54 GMT 2025

PRIMARY

EPA CompTox

DTXSID90184500

Created by admin on Tue Apr 01 16:56:54 GMT 2025 , Edited by admin on Tue Apr 01 16:56:54 GMT 2025

PRIMARY

FDA UNII

T2JEP7CFU9

Created by admin on Tue Apr 01 16:56:54 GMT 2025 , Edited by admin on Tue Apr 01 16:56:54 GMT 2025

PRIMARY

CAS

30414-54-1

Created by admin on Tue Apr 01 16:56:54 GMT 2025 , Edited by admin on Tue Apr 01 16:56:54 GMT 2025

PRIMARY

ECHA (EC/EINECS)

250-185-9

Created by admin on Tue Apr 01 16:56:54 GMT 2025 , Edited by admin on Tue Apr 01 16:56:54 GMT 2025

PRIMARY