3,3,5-Trimethylcyclohexaneacetic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H20O2
Molecular Weight	184.2753
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,3,5-Trimethylcyclohexaneacetic acid

Structure Search

SMILES

CC1CC(CC(O)=O)CC(C)(C)C1

InChI

InChIKey=VXUHWUNUVYCREV-UHFFFAOYSA-N

InChI=1S/C11H20O2/c1-8-4-9(5-10(12)13)7-11(2,3)6-8/h8-9H,4-7H2,1-3H3,(H,12,13)

HIDE SMILES / InChI

Molecular Formula	C11H20O2
Molecular Weight	184.2753
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 `Mon Mar 31 22:08:04 GMT 2025` Edited by `admin` on `Mon Mar 31 22:08:04 GMT 2025`
Record UNII	NN5AQ2R85L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Cyclohexaneacetic acid, 3,3,5-trimethyl-

Preferred Name

English

3,3,5-Trimethylcyclohexaneacetic acid

Systematic Name

English

Code System Code Type Description

PUBCHEM

102954

Created by admin on Mon Mar 31 22:08:04 GMT 2025 , Edited by admin on Mon Mar 31 22:08:04 GMT 2025

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FDA UNII

NN5AQ2R85L

Created by admin on Mon Mar 31 22:08:04 GMT 2025 , Edited by admin on Mon Mar 31 22:08:04 GMT 2025

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EPA CompTox

DTXSID70863124

Created by admin on Mon Mar 31 22:08:04 GMT 2025 , Edited by admin on Mon Mar 31 22:08:04 GMT 2025

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CAS

3213-73-8

Created by admin on Mon Mar 31 22:08:04 GMT 2025 , Edited by admin on Mon Mar 31 22:08:04 GMT 2025

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ECHA (EC/EINECS)

221-727-1

Created by admin on Mon Mar 31 22:08:04 GMT 2025 , Edited by admin on Mon Mar 31 22:08:04 GMT 2025

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