2-METHYL-5-OXO-1-CYCLOPENTEN-1-YL ISOVALERATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H16O3
Molecular Weight	196.2429
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-METHYL-5-OXO-1-CYCLOPENTEN-1-YL ISOVALERATE

Structure Search

SMILES

CC(C)CC(=O)OC1=C(C)CCC1=O

InChI

InChIKey=BMRCKURWGZUABP-UHFFFAOYSA-N

InChI=1S/C11H16O3/c1-7(2)6-10(13)14-11-8(3)4-5-9(11)12/h7H,4-6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C11H16O3
Molecular Weight	196.2429
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 `Mon Mar 31 19:22:24 GMT 2025` Edited by `admin` on `Mon Mar 31 19:22:24 GMT 2025`
Record UNII	6TPI33095Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BUTANOIC ACID, 3-METHYL-, 2-METHYL-5-OXO-1-CYCLOPENTEN-1-YL ESTER

Preferred Name

English

2-METHYL-5-OXO-1-CYCLOPENTEN-1-YL ISOVALERATE

Systematic Name

English

CYCLOTENE ISOVALERATE

Common Name

English

ISOVALERIC ACID, 2-METHYL-5-OXO-1-CYCLOPENTEN-1-YL ESTER

Common Name

English

Code System Code Type Description

CAS

68084-07-1

Created by admin on Mon Mar 31 19:22:24 GMT 2025 , Edited by admin on Mon Mar 31 19:22:24 GMT 2025

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ECHA (EC/EINECS)

268-419-3

Created by admin on Mon Mar 31 19:22:24 GMT 2025 , Edited by admin on Mon Mar 31 19:22:24 GMT 2025

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FDA UNII

6TPI33095Q

Created by admin on Mon Mar 31 19:22:24 GMT 2025 , Edited by admin on Mon Mar 31 19:22:24 GMT 2025

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PUBCHEM

106532

Created by admin on Mon Mar 31 19:22:24 GMT 2025 , Edited by admin on Mon Mar 31 19:22:24 GMT 2025

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EPA CompTox

DTXSID3071068

Created by admin on Mon Mar 31 19:22:24 GMT 2025 , Edited by admin on Mon Mar 31 19:22:24 GMT 2025

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