3-METHYLBUTYL 1-HYDROXYCYCLOHEXANEACETATE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H24O3
Molecular Weight	228.3279
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-METHYLBUTYL 1-HYDROXYCYCLOHEXANEACETATE

Structure Search

SMILES

CC(C)CCOC(=O)CC1(O)CCCCC1

InChI

InChIKey=YPZJKRRAQSWQCI-UHFFFAOYSA-N

InChI=1S/C13H24O3/c1-11(2)6-9-16-12(14)10-13(15)7-4-3-5-8-13/h11,15H,3-10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C13H24O3
Molecular Weight	228.3279
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 `Sat Dec 16 12:40:23 GMT 2023` Edited by `admin` on `Sat Dec 16 12:40:23 GMT 2023`
Record UNII	7XVJ7M46AV
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-METHYLBUTYL 1-HYDROXYCYCLOHEXANEACETATE

Systematic Name

English

CYCLOHEXANEACETIC ACID, 1-HYDROXY-, 3-METHYLBUTYL ESTER

Systematic Name

English

NSC-57348

Code

English

Code System Code Type Description

CAS

6946-66-3

Created by admin on Sat Dec 16 12:40:23 GMT 2023 , Edited by admin on Sat Dec 16 12:40:23 GMT 2023

PRIMARY

ECHA (EC/EINECS)

230-109-0

Created by admin on Sat Dec 16 12:40:23 GMT 2023 , Edited by admin on Sat Dec 16 12:40:23 GMT 2023

PRIMARY

FDA UNII

7XVJ7M46AV

Created by admin on Sat Dec 16 12:40:23 GMT 2023 , Edited by admin on Sat Dec 16 12:40:23 GMT 2023

PRIMARY

NSC

57348

Created by admin on Sat Dec 16 12:40:23 GMT 2023 , Edited by admin on Sat Dec 16 12:40:23 GMT 2023

PRIMARY

EPA CompTox

DTXSID50219625

Created by admin on Sat Dec 16 12:40:23 GMT 2023 , Edited by admin on Sat Dec 16 12:40:23 GMT 2023

PRIMARY

PUBCHEM

81376

Created by admin on Sat Dec 16 12:40:23 GMT 2023 , Edited by admin on Sat Dec 16 12:40:23 GMT 2023

PRIMARY