2-Methyl-2-hexenoic acid

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H12O2
Molecular Weight	128.169
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-Methyl-2-hexenoic acid

Structure Search

SMILES

CCC\C=C(/C)C(O)=O

InChI

InChIKey=AKOVMBAFZSPEQU-AATRIKPKSA-N

InChI=1S/C7H12O2/c1-3-4-5-6(2)7(8)9/h5H,3-4H2,1-2H3,(H,8,9)/b6-5+

HIDE SMILES / InChI

Molecular Formula	C7H12O2
Molecular Weight	128.169
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 `Tue Apr 01 19:10:20 GMT 2025` Edited by `admin` on `Tue Apr 01 19:10:20 GMT 2025`
Record UNII	EZM6AC2ZNF
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2-Hexenoic acid, 2-methyl-

Preferred Name

English

2-Methyl-2-hexenoic acid

Systematic Name

English

(E)-2-Methyl-2-hexenoic acid

Systematic Name

English

2-Hexenoic acid, 2-methyl-, (E)-

Systematic Name

English

(2E)-2-Methyl-2-hexenoic acid

Systematic Name

English

2-Hexenoic acid, 2-methyl-, (2E)-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

249-294-4

Created by admin on Tue Apr 01 19:10:20 GMT 2025 , Edited by admin on Tue Apr 01 19:10:20 GMT 2025

PRIMARY

CAS

97961-66-5

Created by admin on Tue Apr 01 19:10:20 GMT 2025 , Edited by admin on Tue Apr 01 19:10:20 GMT 2025

PRIMARY

CAS

28897-58-7

Created by admin on Tue Apr 01 19:10:20 GMT 2025 , Edited by admin on Tue Apr 01 19:10:20 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

EZM6AC2ZNF

Created by admin on Tue Apr 01 19:10:20 GMT 2025 , Edited by admin on Tue Apr 01 19:10:20 GMT 2025

PRIMARY

EPA CompTox

DTXSID0067422

Created by admin on Tue Apr 01 19:10:20 GMT 2025 , Edited by admin on Tue Apr 01 19:10:20 GMT 2025

PRIMARY

PUBCHEM

5282650

Created by admin on Tue Apr 01 19:10:20 GMT 2025 , Edited by admin on Tue Apr 01 19:10:20 GMT 2025

PRIMARY