ethyl formate;formic acid

C4H8O4 — CID 20529944

IUPACethyl formate;formic acid
SMILESCCOC=O.O=CO
InChIInChI=1S/C3H6O2.CH2O2/c1-2-5-3-4;2-1-3/h3H,2H2,1H3;1H,(H,2,3)
InChIKeyRAWNCBGSZKEOCU-UHFFFAOYSA-N
MW120.10 g/mol
LogP-0.12
Rot. Bonds2

About ethyl formate;formic acid

ethyl formate;formic acid (PubChem CID 20529944) has the molecular formula C4H8O4 and a molecular weight of 120.10 g/mol. Its IUPAC name is ethyl formate;formic acid.

Molecular Properties

Compound Nameethyl formate;formic acid
PubChem CID20529944
Molecular FormulaC4H8O4
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Nameethyl formate;formic acid
SMILESCCOC=O.O=CO
InChIInChI=1S/C3H6O2.CH2O2/c1-2-5-3-4;2-1-3/h3H,2H2,1H3;1H,(H,2,3)
InChIKeyRAWNCBGSZKEOCU-UHFFFAOYSA-N
XLogP-0.12
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze ethyl formate;formic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl formate;formic acid?
The IUPAC name of ethyl formate;formic acid (CID 20529944) is ethyl formate;formic acid.
What is the SMILES notation for ethyl formate;formic acid?
The canonical SMILES for ethyl formate;formic acid is CCOC=O.O=CO.
What is the InChIKey of ethyl formate;formic acid?
The InChIKey is RAWNCBGSZKEOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.CH2O2/c1-2-5-3-4;2-1-3/h3H,2H2,1H3;1H,(H,2,3).
What are the key properties of ethyl formate;formic acid?
ethyl formate;formic acid has a molecular weight of 120.10 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;formic acid is sourced from PubChem (CID 20529944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).