4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one

C₁₁H₁₆O₂ — CID 152897390

About 4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one

4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one (PubChem CID 152897390) has the molecular formula C₁₁H₁₆O₂ and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one.

Molecular Properties

• Compound Name: 4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one
• PubChem CID: 152897390
• Molecular Formula: C₁₁H₁₆O₂
• Molecular Weight: 180.25 g/mol
• Exact Mass: 180.12
• IUPAC Name: 4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one
• SMILES: C=CCC1(CC=C)C(=O)OCC1C
• InChI: InChI=1S/C11H16O2/c1-4-6-11(7-5-2)9(3)8-13-10(11)12/h4-5,9H,1-2,6-8H2,3H3
• InChIKey: UEQQBECANZNUJU-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	180.25
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one?

The IUPAC name of 4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one (CID 152897390) is 4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one.

What is the SMILES notation for 4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one?

The canonical SMILES for 4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one is C=CCC1(CC=C)C(=O)OCC1C.

What is the InChIKey of 4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one?

The InChIKey is UEQQBECANZNUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-6-11(7-5-2)9(3)8-13-10(11)12/h4-5,9H,1-2,6-8H2,3H3.

What are the key properties of 4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one?

4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one has a molecular weight of 180.25 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one is sourced from PubChem (CID 152897390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 152897390 — identifiers, structure, computed properties (public domain)

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