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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H14O2
Molecular Weight 154.2063
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 2-heptynoate

SMILES

CCCCC#CC(=O)OCC

InChI

InChIKey=GDCQMGYMFGPMCX-UHFFFAOYSA-N
InChI=1S/C9H14O2/c1-3-5-6-7-8-9(10)11-4-2/h3-6H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
Ethyl 2-heptynoate
Systematic Name English
Ethyl hept-2-ynoate
Preferred Name English
NSC-190963
Code English
2-Heptynoic acid, ethyl ester
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80168692
Created by admin on Tue Apr 01 20:22:01 GMT 2025 , Edited by admin on Tue Apr 01 20:22:01 GMT 2025
PRIMARY
FDA UNII
H59KJ98LCC
Created by admin on Tue Apr 01 20:22:01 GMT 2025 , Edited by admin on Tue Apr 01 20:22:01 GMT 2025
PRIMARY
ECHA (EC/EINECS)
240-996-6
Created by admin on Tue Apr 01 20:22:01 GMT 2025 , Edited by admin on Tue Apr 01 20:22:01 GMT 2025
PRIMARY
PUBCHEM
85647
Created by admin on Tue Apr 01 20:22:01 GMT 2025 , Edited by admin on Tue Apr 01 20:22:01 GMT 2025
PRIMARY
CAS
16930-95-3
Created by admin on Tue Apr 01 20:22:01 GMT 2025 , Edited by admin on Tue Apr 01 20:22:01 GMT 2025
PRIMARY