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 UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Hydroxyethyl 2-isopropyl-5-methylcyclohexanecarboxylate

SMILES

CC(C)C1CCC(C)CC1C(=O)OCCO

InChI

InChIKey=NNPFZDMSNIETII-UHFFFAOYSA-N
InChI=1S/C13H24O3/c1-9(2)11-5-4-10(3)8-12(11)13(15)16-7-6-14/h9-12,14H,4-8H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C13H24O3
Molecular Weight 228.3279
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:14:51 GMT 2025
Edited
by admin
on Mon Mar 31 22:14:51 GMT 2025
Record UNII
4L528ZP8HH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Hydroxyethyl 2-isopropyl-5-methylcyclohexanecarboxylate
Systematic Name English
2-Hydroxyethyl 2-(isopropyl)-5-methylcyclohexanecarboxylate
Preferred Name English
Cyclohexanecarboxylic acid, 5-methyl-2-(1-methylethyl)-, 2-hydroxyethyl ester
Systematic Name English
2-Hydroxyethyl 5-methyl-2-(1-methylethyl)cyclohexanecarboxylate
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
254-095-0
Created by admin on Mon Mar 31 22:14:51 GMT 2025 , Edited by admin on Mon Mar 31 22:14:51 GMT 2025
PRIMARY
CAS
38705-98-5
Created by admin on Mon Mar 31 22:14:51 GMT 2025 , Edited by admin on Mon Mar 31 22:14:51 GMT 2025
PRIMARY
FDA UNII
4L528ZP8HH
Created by admin on Mon Mar 31 22:14:51 GMT 2025 , Edited by admin on Mon Mar 31 22:14:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID10959530
Created by admin on Mon Mar 31 22:14:51 GMT 2025 , Edited by admin on Mon Mar 31 22:14:51 GMT 2025
PRIMARY
PUBCHEM
3016006
Created by admin on Mon Mar 31 22:14:51 GMT 2025 , Edited by admin on Mon Mar 31 22:14:51 GMT 2025
PRIMARY