2-methyl-2-(3-methylbut-3-enyl)oxetane

C9H16O — CID 86078756

IUPAC2-methyl-2-(3-methylbut-3-enyl)oxetane
SMILESC=C(C)CCC1(C)CCO1
InChIInChI=1S/C9H16O/c1-8(2)4-5-9(3)6-7-10-9/h1,4-7H2,2-3H3
InChIKeyPVGGROYZRNWADK-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds3

About 2-methyl-2-(3-methylbut-3-enyl)oxetane

2-methyl-2-(3-methylbut-3-enyl)oxetane (PubChem CID 86078756) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-methyl-2-(3-methylbut-3-enyl)oxetane.

Molecular Properties

Compound Name2-methyl-2-(3-methylbut-3-enyl)oxetane
PubChem CID86078756
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-methyl-2-(3-methylbut-3-enyl)oxetane
SMILESC=C(C)CCC1(C)CCO1
InChIInChI=1S/C9H16O/c1-8(2)4-5-9(3)6-7-10-9/h1,4-7H2,2-3H3
InChIKeyPVGGROYZRNWADK-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-2-(3-methylbut-3-enyl)oxetane 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 2-methyl-2-(3-methylbut-3-enyl)oxetane?
The IUPAC name of 2-methyl-2-(3-methylbut-3-enyl)oxetane (CID 86078756) is 2-methyl-2-(3-methylbut-3-enyl)oxetane.
What is the SMILES notation for 2-methyl-2-(3-methylbut-3-enyl)oxetane?
The canonical SMILES for 2-methyl-2-(3-methylbut-3-enyl)oxetane is C=C(C)CCC1(C)CCO1.
What is the InChIKey of 2-methyl-2-(3-methylbut-3-enyl)oxetane?
The InChIKey is PVGGROYZRNWADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-8(2)4-5-9(3)6-7-10-9/h1,4-7H2,2-3H3.
What are the key properties of 2-methyl-2-(3-methylbut-3-enyl)oxetane?
2-methyl-2-(3-methylbut-3-enyl)oxetane has a molecular weight of 140.23 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylbut-3-enyl)oxetane is sourced from PubChem (CID 86078756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).