2-(chloromethyl)-2-cyclobutyloxirane

C7H11ClO — CID 576261

IUPAC2-(chloromethyl)-2-cyclobutyloxirane
SMILESClCC1(C2CCC2)CO1
InChIInChI=1S/C7H11ClO/c8-4-7(5-9-7)6-2-1-3-6/h6H,1-5H2
InChIKeyBWRRFMKVGGXXQD-UHFFFAOYSA-N
MW146.62 g/mol
LogP1.79
Rot. Bonds2

About 2-(chloromethyl)-2-cyclobutyloxirane

2-(chloromethyl)-2-cyclobutyloxirane (PubChem CID 576261) has the molecular formula C7H11ClO and a molecular weight of 146.62 g/mol. Its IUPAC name is 2-(chloromethyl)-2-cyclobutyloxirane.

Molecular Properties

Compound Name2-(chloromethyl)-2-cyclobutyloxirane
PubChem CID576261
Molecular FormulaC7H11ClO
Molecular Weight146.62 g/mol
Exact Mass146.05
IUPAC Name2-(chloromethyl)-2-cyclobutyloxirane
SMILESClCC1(C2CCC2)CO1
InChIInChI=1S/C7H11ClO/c8-4-7(5-9-7)6-2-1-3-6/h6H,1-5H2
InChIKeyBWRRFMKVGGXXQD-UHFFFAOYSA-N
XLogP1.79
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-(chloromethyl)-2-cyclobutyloxirane 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-(chloromethyl)-2-cyclobutyloxirane?
The IUPAC name of 2-(chloromethyl)-2-cyclobutyloxirane (CID 576261) is 2-(chloromethyl)-2-cyclobutyloxirane.
What is the SMILES notation for 2-(chloromethyl)-2-cyclobutyloxirane?
The canonical SMILES for 2-(chloromethyl)-2-cyclobutyloxirane is ClCC1(C2CCC2)CO1.
What is the InChIKey of 2-(chloromethyl)-2-cyclobutyloxirane?
The InChIKey is BWRRFMKVGGXXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO/c8-4-7(5-9-7)6-2-1-3-6/h6H,1-5H2.
What are the key properties of 2-(chloromethyl)-2-cyclobutyloxirane?
2-(chloromethyl)-2-cyclobutyloxirane has a molecular weight of 146.62 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-2-cyclobutyloxirane is sourced from PubChem (CID 576261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).