5-methyl-5-(2-methylprop-1-enyl)oxolan-2-one

C9H14O2 — CID 567177

IUPAC5-methyl-5-(2-methylprop-1-enyl)oxolan-2-one
SMILESCC(C)=CC1(C)CCC(=O)O1
InChIInChI=1S/C9H14O2/c1-7(2)6-9(3)5-4-8(10)11-9/h6H,4-5H2,1-3H3
InChIKeyPCDZWNNMYOFAAC-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds1

About 5-methyl-5-(2-methylprop-1-enyl)oxolan-2-one

5-methyl-5-(2-methylprop-1-enyl)oxolan-2-one (PubChem CID 567177) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-methyl-5-(2-methylprop-1-enyl)oxolan-2-one.

Molecular Properties

Compound Name5-methyl-5-(2-methylprop-1-enyl)oxolan-2-one
PubChem CID567177
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name5-methyl-5-(2-methylprop-1-enyl)oxolan-2-one
SMILESCC(C)=CC1(C)CCC(=O)O1
InChIInChI=1S/C9H14O2/c1-7(2)6-9(3)5-4-8(10)11-9/h6H,4-5H2,1-3H3
InChIKeyPCDZWNNMYOFAAC-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methyl-5-(2-methylprop-1-enyl)oxolan-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 5-methyl-5-(2-methylprop-1-enyl)oxolan-2-one?
The IUPAC name of 5-methyl-5-(2-methylprop-1-enyl)oxolan-2-one (CID 567177) is 5-methyl-5-(2-methylprop-1-enyl)oxolan-2-one.
What is the SMILES notation for 5-methyl-5-(2-methylprop-1-enyl)oxolan-2-one?
The canonical SMILES for 5-methyl-5-(2-methylprop-1-enyl)oxolan-2-one is CC(C)=CC1(C)CCC(=O)O1.
What is the InChIKey of 5-methyl-5-(2-methylprop-1-enyl)oxolan-2-one?
The InChIKey is PCDZWNNMYOFAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7(2)6-9(3)5-4-8(10)11-9/h6H,4-5H2,1-3H3.
What are the key properties of 5-methyl-5-(2-methylprop-1-enyl)oxolan-2-one?
5-methyl-5-(2-methylprop-1-enyl)oxolan-2-one has a molecular weight of 154.21 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(2-methylprop-1-enyl)oxolan-2-one is sourced from PubChem (CID 567177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).