Ethyl 2-methyl-6-(1-methylethyl)-4-oxo-2-cyclohexene-1-carboxylate

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H20O3
Molecular Weight	224.2961
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl 2-methyl-6-(1-methylethyl)-4-oxo-2-cyclohexene-1-carboxylate

Structure Search

SMILES

CCOC(=O)C1C(CC(=O)C=C1C)C(C)C

InChI

InChIKey=QBMOPULUXAKJTR-UHFFFAOYSA-N

InChI=1S/C13H20O3/c1-5-16-13(15)12-9(4)6-10(14)7-11(12)8(2)3/h6,8,11-12H,5,7H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C13H20O3
Molecular Weight	224.2961
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:33:24 GMT 2025` Edited by `admin` on `Tue Apr 01 19:33:24 GMT 2025`
Record UNII	R7FPA26UU8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ethyl 2-methyl-6-(1-methylethyl)-4-oxo-2-cyclohexene-1-carboxylate

Systematic Name

English

NSC-10159

Preferred Name

English

3-Methyl-5-isopropyl-4-carbethoxy-2-cyclohexene-1-one

Systematic Name

English

2-Cyclohexene-1-carboxylic acid, 2-methyl-6-(1-methylethyl)-4-oxo-, ethyl ester

Systematic Name

English

Code System Code Type Description

CAS

24079-95-6

Created by admin on Tue Apr 01 19:33:24 GMT 2025 , Edited by admin on Tue Apr 01 19:33:24 GMT 2025

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FDA UNII

R7FPA26UU8

Created by admin on Tue Apr 01 19:33:24 GMT 2025 , Edited by admin on Tue Apr 01 19:33:24 GMT 2025

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ECHA (EC/EINECS)

246-010-0

Created by admin on Tue Apr 01 19:33:24 GMT 2025 , Edited by admin on Tue Apr 01 19:33:24 GMT 2025

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PUBCHEM

91120

Created by admin on Tue Apr 01 19:33:24 GMT 2025 , Edited by admin on Tue Apr 01 19:33:24 GMT 2025

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NSC

10159

Created by admin on Tue Apr 01 19:33:24 GMT 2025 , Edited by admin on Tue Apr 01 19:33:24 GMT 2025

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EPA CompTox

DTXSID60885254

Created by admin on Tue Apr 01 19:33:24 GMT 2025 , Edited by admin on Tue Apr 01 19:33:24 GMT 2025

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