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

Details

Stereochemistry RACEMIC
Molecular Formula C10H17Cl
Molecular Weight 172.695
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(1-Chloro-1-methylethyl)-1-methylcyclohexene

SMILES

CC1=CCC(CC1)C(C)(C)Cl

InChI

InChIKey=JDMWYZSPJDXSOB-UHFFFAOYSA-N
InChI=1S/C10H17Cl/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9H,5-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C10H17Cl
Molecular Weight 172.695
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 11:06:43 GMT 2025
Edited
by admin
on Wed Apr 02 11:06:43 GMT 2025
Record UNII
S9TJ2EH7VC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Cyclohexene, 4-(1-chloro-1-methylethyl)-1-methyl-
Preferred Name English
4-(1-Chloro-1-methylethyl)-1-methylcyclohexene
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70885785
Created by admin on Wed Apr 02 11:06:43 GMT 2025 , Edited by admin on Wed Apr 02 11:06:43 GMT 2025
PRIMARY
CAS
39864-10-3
Created by admin on Wed Apr 02 11:06:43 GMT 2025 , Edited by admin on Wed Apr 02 11:06:43 GMT 2025
PRIMARY
FDA UNII
S9TJ2EH7VC
Created by admin on Wed Apr 02 11:06:43 GMT 2025 , Edited by admin on Wed Apr 02 11:06:43 GMT 2025
PRIMARY
PUBCHEM
162397
Created by admin on Wed Apr 02 11:06:43 GMT 2025 , Edited by admin on Wed Apr 02 11:06:43 GMT 2025
PRIMARY