4,4-dimethyl-5-methylidene-1,3-dioxolan-2-one;ethene

C8H12O3 — CID 175466982

IUPAC4,4-dimethyl-5-methylidene-1,3-dioxolan-2-one;ethene
SMILESC=C.C=C1OC(=O)OC1(C)C
InChIInChI=1S/C6H8O3.C2H4/c1-4-6(2,3)9-5(7)8-4;1-2/h1H2,2-3H3;1-2H2
InChIKeyIHIQQLHLMUQZEA-UHFFFAOYSA-N
MW156.18 g/mol
LogP2.25
Rot. Bonds

About 4,4-dimethyl-5-methylidene-1,3-dioxolan-2-one;ethene

4,4-dimethyl-5-methylidene-1,3-dioxolan-2-one;ethene (PubChem CID 175466982) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4,4-dimethyl-5-methylidene-1,3-dioxolan-2-one;ethene.

Molecular Properties

Compound Name4,4-dimethyl-5-methylidene-1,3-dioxolan-2-one;ethene
PubChem CID175466982
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name4,4-dimethyl-5-methylidene-1,3-dioxolan-2-one;ethene
SMILESC=C.C=C1OC(=O)OC1(C)C
InChIInChI=1S/C6H8O3.C2H4/c1-4-6(2,3)9-5(7)8-4;1-2/h1H2,2-3H3;1-2H2
InChIKeyIHIQQLHLMUQZEA-UHFFFAOYSA-N
XLogP2.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,4-dimethyl-5-methylidene-1,3-dioxolan-2-one;ethene 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 4,4-dimethyl-5-methylidene-1,3-dioxolan-2-one;ethene?
The IUPAC name of 4,4-dimethyl-5-methylidene-1,3-dioxolan-2-one;ethene (CID 175466982) is 4,4-dimethyl-5-methylidene-1,3-dioxolan-2-one;ethene.
What is the SMILES notation for 4,4-dimethyl-5-methylidene-1,3-dioxolan-2-one;ethene?
The canonical SMILES for 4,4-dimethyl-5-methylidene-1,3-dioxolan-2-one;ethene is C=C.C=C1OC(=O)OC1(C)C.
What is the InChIKey of 4,4-dimethyl-5-methylidene-1,3-dioxolan-2-one;ethene?
The InChIKey is IHIQQLHLMUQZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3.C2H4/c1-4-6(2,3)9-5(7)8-4;1-2/h1H2,2-3H3;1-2H2.
What are the key properties of 4,4-dimethyl-5-methylidene-1,3-dioxolan-2-one;ethene?
4,4-dimethyl-5-methylidene-1,3-dioxolan-2-one;ethene has a molecular weight of 156.18 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-methylidene-1,3-dioxolan-2-one;ethene is sourced from PubChem (CID 175466982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).