ethenyl prop-2-enyl carbonate

C6H8O3 — CID 14122298

IUPACethenyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OC=C
InChIInChI=1S/C6H8O3/c1-3-5-9-6(7)8-4-2/h3-4H,1-2,5H2
InChIKeyZQHWNCCQPKAZAH-UHFFFAOYSA-N
MW128.13 g/mol
LogP1.47
Rot. Bonds3

About ethenyl prop-2-enyl carbonate

ethenyl prop-2-enyl carbonate (PubChem CID 14122298) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is ethenyl prop-2-enyl carbonate.

Molecular Properties

Compound Nameethenyl prop-2-enyl carbonate
PubChem CID14122298
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Nameethenyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OC=C
InChIInChI=1S/C6H8O3/c1-3-5-9-6(7)8-4-2/h3-4H,1-2,5H2
InChIKeyZQHWNCCQPKAZAH-UHFFFAOYSA-N
XLogP1.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethenyl prop-2-enyl carbonate 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 ethenyl prop-2-enyl carbonate?
The IUPAC name of ethenyl prop-2-enyl carbonate (CID 14122298) is ethenyl prop-2-enyl carbonate.
What is the SMILES notation for ethenyl prop-2-enyl carbonate?
The canonical SMILES for ethenyl prop-2-enyl carbonate is C=CCOC(=O)OC=C.
What is the InChIKey of ethenyl prop-2-enyl carbonate?
The InChIKey is ZQHWNCCQPKAZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-3-5-9-6(7)8-4-2/h3-4H,1-2,5H2.
What are the key properties of ethenyl prop-2-enyl carbonate?
ethenyl prop-2-enyl carbonate has a molecular weight of 128.13 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl prop-2-enyl carbonate is sourced from PubChem (CID 14122298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).