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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H16O2
Molecular Weight 180.2435
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Ethynylcyclohexyl propionate

SMILES

CCC(=O)OC1(CCCCC1)C#C

InChI

InChIKey=TWHCDUFZKOKIMI-UHFFFAOYSA-N
InChI=1S/C11H16O2/c1-3-10(12)13-11(4-2)8-6-5-7-9-11/h2H,3,5-9H2,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
1-Ethynylcyclohexyl propionate
Systematic Name English
Cyclohexanol, 1-ethynyl-, propanoate
Systematic Name English
NSC-22258
Code English
1-Vinylcyclohexyl propionate
Systematic Name English
Cyclohexanol, 1-ethynyl-, 1-propanoate
Systematic Name English
(1-Ethynylcyclohexyl) propanoate
Systematic Name English
Code System Code Type Description
NSC
22258
Created by admin on Sat Dec 16 12:50:04 GMT 2023 , Edited by admin on Sat Dec 16 12:50:04 GMT 2023
PRIMARY
ECHA (EC/EINECS)
226-653-3
Created by admin on Sat Dec 16 12:50:04 GMT 2023 , Edited by admin on Sat Dec 16 12:50:04 GMT 2023
PRIMARY
FDA UNII
KSG4RHQ8KM
Created by admin on Sat Dec 16 12:50:04 GMT 2023 , Edited by admin on Sat Dec 16 12:50:04 GMT 2023
PRIMARY
CAS
5445-76-1
Created by admin on Sat Dec 16 12:50:04 GMT 2023 , Edited by admin on Sat Dec 16 12:50:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID60884161
Created by admin on Sat Dec 16 12:50:04 GMT 2023 , Edited by admin on Sat Dec 16 12:50:04 GMT 2023
PRIMARY
PUBCHEM
79521
Created by admin on Sat Dec 16 12:50:04 GMT 2023 , Edited by admin on Sat Dec 16 12:50:04 GMT 2023
PRIMARY