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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H18O2
Molecular Weight 170.2487
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL CYCLOOCTANECARBOXYLATE

SMILES

COC(=O)C1CCCCCCC1

InChI

InChIKey=RGWPTUUKSDBWRA-UHFFFAOYSA-N
InChI=1S/C10H18O2/c1-12-10(11)9-7-5-3-2-4-6-8-9/h9H,2-8H2,1H3

HIDE SMILES / InChI

Molecular Formula C10H18O2
Molecular Weight 170.2487
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:00:25 GMT 2023
Edited
by admin
on Sat Dec 16 08:00:25 GMT 2023
Record UNII
X54JIQ3JK3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL CYCLOOCTANECARBOXYLATE
Systematic Name English
NSC-119520
Code English
CYCLOOCTANECARBOXYLIC ACID, METHYL ESTER
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID6063149
Created by admin on Sat Dec 16 08:00:25 GMT 2023 , Edited by admin on Sat Dec 16 08:00:25 GMT 2023
PRIMARY
ECHA (EC/EINECS)
223-075-3
Created by admin on Sat Dec 16 08:00:25 GMT 2023 , Edited by admin on Sat Dec 16 08:00:25 GMT 2023
PRIMARY
NSC
119520
Created by admin on Sat Dec 16 08:00:25 GMT 2023 , Edited by admin on Sat Dec 16 08:00:25 GMT 2023
PRIMARY
CAS
3724-54-7
Created by admin on Sat Dec 16 08:00:25 GMT 2023 , Edited by admin on Sat Dec 16 08:00:25 GMT 2023
PRIMARY
FDA UNII
X54JIQ3JK3
Created by admin on Sat Dec 16 08:00:25 GMT 2023 , Edited by admin on Sat Dec 16 08:00:25 GMT 2023
PRIMARY
PUBCHEM
77313
Created by admin on Sat Dec 16 08:00:25 GMT 2023 , Edited by admin on Sat Dec 16 08:00:25 GMT 2023
PRIMARY