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Details

Stereochemistry RACEMIC
Molecular Formula C12H22O2
Molecular Weight 198.3019
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-Dimethylbutyl cyclopentanecarboxylate

SMILES

CC(C)CC(C)OC(=O)C1CCCC1

InChI

InChIKey=AGGULZKSGBOSKI-UHFFFAOYSA-N
InChI=1S/C12H22O2/c1-9(2)8-10(3)14-12(13)11-6-4-5-7-11/h9-11H,4-8H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C12H22O2
Molecular Weight 198.3019
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 19:24:18 GMT 2025
Edited
by admin
on Wed Apr 02 19:24:18 GMT 2025
Record UNII
R4CF9LVR57
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-Dimethylbutyl cyclopentanecarboxylate
Systematic Name English
4-methylpentan-2-yl cyclopentanecarboxylate
Preferred Name English
Cyclopentanecarboxylic acid,1,3-dimethylbutyl ester
Systematic Name English
Code System Code Type Description
CAS
94231-51-3
Created by admin on Wed Apr 02 19:24:18 GMT 2025 , Edited by admin on Wed Apr 02 19:24:18 GMT 2025
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EPA CompTox
DTXSID50916021
Created by admin on Wed Apr 02 19:24:18 GMT 2025 , Edited by admin on Wed Apr 02 19:24:18 GMT 2025
PRIMARY
PUBCHEM
3024057
Created by admin on Wed Apr 02 19:24:18 GMT 2025 , Edited by admin on Wed Apr 02 19:24:18 GMT 2025
PRIMARY
FDA UNII
R4CF9LVR57
Created by admin on Wed Apr 02 19:24:18 GMT 2025 , Edited by admin on Wed Apr 02 19:24:18 GMT 2025
PRIMARY