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

Details

Stereochemistry MIXED
Molecular Formula C12H21ClO2
Molecular Weight 232.747
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SEC-BUTYL 4-CHLORO-2-METHYLCYCLOHEXANECARBOXYLATE

SMILES

CCC(C)OC(=O)C1CCC(Cl)CC1C

InChI

InChIKey=CVDTYSSDCJAEQU-UHFFFAOYSA-N
InChI=1S/C12H21ClO2/c1-4-9(3)15-12(14)11-6-5-10(13)7-8(11)2/h8-11H,4-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C12H21ClO2
Molecular Weight 232.747
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:10:49 GMT 2023
Edited
by admin
on Sat Dec 16 00:10:49 GMT 2023
Record UNII
5OA92L2S3W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SEC-BUTYL 4-CHLORO-2-METHYLCYCLOHEXANECARBOXYLATE
Systematic Name English
CYCLOHEXANECARBOXYLIC ACID, 4-CHLORO-2-METHYL-, 1-METHYLPROPYL ESTER
Systematic Name English
Code System Code Type Description
CAS
111790-62-6
Created by admin on Sat Dec 16 00:10:49 GMT 2023 , Edited by admin on Sat Dec 16 00:10:49 GMT 2023
PRIMARY
FDA UNII
5OA92L2S3W
Created by admin on Sat Dec 16 00:10:49 GMT 2023 , Edited by admin on Sat Dec 16 00:10:49 GMT 2023
PRIMARY
PUBCHEM
565343
Created by admin on Sat Dec 16 00:10:49 GMT 2023 , Edited by admin on Sat Dec 16 00:10:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID50340509
Created by admin on Sat Dec 16 00:10:49 GMT 2023 , Edited by admin on Sat Dec 16 00:10:49 GMT 2023
PRIMARY