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

Details

Stereochemistry RACEMIC
Molecular Formula C13H24O4
Molecular Weight 244.3273
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 2-(2-methyl-1,3-dioxolan-2-yl)heptanoate

SMILES

CCCCCC(C(=O)OCC)C1(C)OCCO1

InChI

InChIKey=AHEPPWIHINNDTF-UHFFFAOYSA-N
InChI=1S/C13H24O4/c1-4-6-7-8-11(12(14)15-5-2)13(3)16-9-10-17-13/h11H,4-10H2,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Ethyl 2-(2-methyl-1,3-dioxolan-2-yl)heptanoate
Systematic Name English
1,3-Dioxolane-2-acetic acid,2-methyl-?-pentyl-,ethyl ester
Preferred Name English
Ethyl 2-methyl-?-pentyl-1,3-dioxolane-2-acetate
Systematic Name English
Code System Code Type Description
FDA UNII
KQX2LAJ6UN
Created by admin on Wed Apr 02 21:10:09 GMT 2025 , Edited by admin on Wed Apr 02 21:10:09 GMT 2025
PRIMARY
CAS
72727-57-2
Created by admin on Wed Apr 02 21:10:09 GMT 2025 , Edited by admin on Wed Apr 02 21:10:09 GMT 2025
PRIMARY
EPA CompTox
DTXSID90888172
Created by admin on Wed Apr 02 21:10:09 GMT 2025 , Edited by admin on Wed Apr 02 21:10:09 GMT 2025
PRIMARY
PUBCHEM
175122
Created by admin on Wed Apr 02 21:10:09 GMT 2025 , Edited by admin on Wed Apr 02 21:10:09 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966