4-ethenyl-4-methyl-1,3-dioxolan-2-one

C6H8O3 — CID 22348558

IUPAC4-ethenyl-4-methyl-1,3-dioxolan-2-one
SMILESC=CC1(C)COC(=O)O1
InChIInChI=1S/C6H8O3/c1-3-6(2)4-8-5(7)9-6/h3H,1,4H2,2H3
InChIKeyCHEDCMPRPAISMY-UHFFFAOYSA-N
MW128.13 g/mol
LogP1.10
Rot. Bonds1

About 4-ethenyl-4-methyl-1,3-dioxolan-2-one

4-ethenyl-4-methyl-1,3-dioxolan-2-one (PubChem CID 22348558) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 4-ethenyl-4-methyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-ethenyl-4-methyl-1,3-dioxolan-2-one
PubChem CID22348558
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name4-ethenyl-4-methyl-1,3-dioxolan-2-one
SMILESC=CC1(C)COC(=O)O1
InChIInChI=1S/C6H8O3/c1-3-6(2)4-8-5(7)9-6/h3H,1,4H2,2H3
InChIKeyCHEDCMPRPAISMY-UHFFFAOYSA-N
XLogP1.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethenyl-4-methyl-1,3-dioxolan-2-one 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 4-ethenyl-4-methyl-1,3-dioxolan-2-one?
The IUPAC name of 4-ethenyl-4-methyl-1,3-dioxolan-2-one (CID 22348558) is 4-ethenyl-4-methyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-ethenyl-4-methyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-ethenyl-4-methyl-1,3-dioxolan-2-one is C=CC1(C)COC(=O)O1.
What is the InChIKey of 4-ethenyl-4-methyl-1,3-dioxolan-2-one?
The InChIKey is CHEDCMPRPAISMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-3-6(2)4-8-5(7)9-6/h3H,1,4H2,2H3.
What are the key properties of 4-ethenyl-4-methyl-1,3-dioxolan-2-one?
4-ethenyl-4-methyl-1,3-dioxolan-2-one has a molecular weight of 128.13 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-4-methyl-1,3-dioxolan-2-one is sourced from PubChem (CID 22348558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).