ethyl propanoate

C5H10O2 — CID 7749

IUPACethyl propanoate
SMILESCCOC(=O)CC
InChIInChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3
InChIKeyFKRCODPIKNYEAC-UHFFFAOYSA-N
MW102.13 g/mol
LogP0.96
Rot. Bonds2

About ethyl propanoate

ethyl propanoate (PubChem CID 7749) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is ethyl propanoate.

Molecular Properties

Compound Nameethyl propanoate
PubChem CID7749
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Nameethyl propanoate
SMILESCCOC(=O)CC
InChIInChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3
InChIKeyFKRCODPIKNYEAC-UHFFFAOYSA-N
XLogP0.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl Acetate
CID 8857
Butyl Acetate
CID 31272
Butyl propionate
CID 11529
Propyl Acetate
CID 7997
Ethyl butyrate
CID 7762
Isopropyl Acetate
CID 7915
Propyl propionate
CID 7803
Isobutyl Acetate
CID 8038
Methyl propionate
CID 11124
Isobutyl isobutyrate
CID 7351
Propionic anhydride
CID 31263
Ethyl isobutyrate
CID 7342

Frequently Asked Questions

What is the IUPAC name of ethyl propanoate?
The IUPAC name of ethyl propanoate (CID 7749) is ethyl propanoate.
What is the SMILES notation for ethyl propanoate?
The canonical SMILES for ethyl propanoate is CCOC(=O)CC.
What is the InChIKey of ethyl propanoate?
The InChIKey is FKRCODPIKNYEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3.
What are the key properties of ethyl propanoate?
ethyl propanoate has a molecular weight of 102.13 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl propanoate is sourced from PubChem (CID 7749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).