U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H22O2
Molecular Weight 198.3019
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPENTYL CYCLOHEXANECARBOXYLATE

SMILES

CC(C)CCOC(=O)C1CCCCC1

InChI

InChIKey=VLALRUKXGDUQFX-UHFFFAOYSA-N
InChI=1S/C12H22O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
ISOPENTYL CYCLOHEXANECARBOXYLATE
Systematic Name English
CYCLOHEXANECARBOXYLIC ACID, 3-METHYLBUTYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
91326
Created by admin on Sat Dec 16 13:10:49 GMT 2023 , Edited by admin on Sat Dec 16 13:10:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID70179853
Created by admin on Sat Dec 16 13:10:49 GMT 2023 , Edited by admin on Sat Dec 16 13:10:49 GMT 2023
PRIMARY
ECHA (EC/EINECS)
246-717-4
Created by admin on Sat Dec 16 13:10:49 GMT 2023 , Edited by admin on Sat Dec 16 13:10:49 GMT 2023
PRIMARY
FDA UNII
NX48U7GG2V
Created by admin on Sat Dec 16 13:10:49 GMT 2023 , Edited by admin on Sat Dec 16 13:10:49 GMT 2023
PRIMARY
CAS
25183-19-1
Created by admin on Sat Dec 16 13:10:49 GMT 2023 , Edited by admin on Sat Dec 16 13:10:49 GMT 2023
PRIMARY