ethenyl acetate

C4H6O2 — CID 7904

IUPACethenyl acetate
SMILESC=COC(C)=O
InChIInChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3
InChIKeyXTXRWKRVRITETP-UHFFFAOYSA-N
MW86.09 g/mol
LogP0.69
Rot. Bonds1

About ethenyl acetate

ethenyl acetate (PubChem CID 7904) has the molecular formula C4H6O2 and a molecular weight of 86.09 g/mol. Its IUPAC name is ethenyl acetate.

Molecular Properties

Compound Nameethenyl acetate
PubChem CID7904
Molecular FormulaC4H6O2
Molecular Weight86.09 g/mol
Exact Mass86.04
IUPAC Nameethenyl acetate
SMILESC=COC(C)=O
InChIInChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3
InChIKeyXTXRWKRVRITETP-UHFFFAOYSA-N
XLogP0.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze ethenyl acetate 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

ethene;ethenyl acetate;hydrofluoride
CID 158693082
ethenyl acetate;methoxyethene
CID 18921270
ethenyl acetate;formic acid
CID 175608061
ethanol;ethenyl acetate
CID 87099759
CID 22321303
CID 22321303
carbonofluoridic acid;ethenyl acetate
CID 157176220
ethenyl acetate;oxalonitrile
CID 174923759
dichloromethane;ethenyl acetate
CID 86614662
bis((Z)-but-2-enedioic acid);ethenyl acetate
CID 172778933
acetic acid;acetyl acetate;ethenyl acetate
CID 158501483
ethenyl acetate;ethenyl formate
CID 19370025
tris(benzene-1,2,3,4,5,6-hexacarboxylic acid);ethenyl acetate
CID 174249995

Frequently Asked Questions

What is the IUPAC name of ethenyl acetate?
The IUPAC name of ethenyl acetate (CID 7904) is ethenyl acetate.
What is the SMILES notation for ethenyl acetate?
The canonical SMILES for ethenyl acetate is C=COC(C)=O.
What is the InChIKey of ethenyl acetate?
The InChIKey is XTXRWKRVRITETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3.
What are the key properties of ethenyl acetate?
ethenyl acetate has a molecular weight of 86.09 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate is sourced from PubChem (CID 7904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).