2-(chloromethyl)-3-propyloxirane

C6H11ClO — CID 18324215

IUPAC2-(chloromethyl)-3-propyloxirane
SMILESCCCC1OC1CCl
InChIInChI=1S/C6H11ClO/c1-2-3-5-6(4-7)8-5/h5-6H,2-4H2,1H3
InChIKeyUEMRRMNEJABNGQ-UHFFFAOYSA-N
MW134.61 g/mol
LogP1.79
Rot. Bonds3

About 2-(chloromethyl)-3-propyloxirane

2-(chloromethyl)-3-propyloxirane (PubChem CID 18324215) has the molecular formula C6H11ClO and a molecular weight of 134.61 g/mol. Its IUPAC name is 2-(chloromethyl)-3-propyloxirane.

Molecular Properties

Compound Name2-(chloromethyl)-3-propyloxirane
PubChem CID18324215
Molecular FormulaC6H11ClO
Molecular Weight134.61 g/mol
Exact Mass134.05
IUPAC Name2-(chloromethyl)-3-propyloxirane
SMILESCCCC1OC1CCl
InChIInChI=1S/C6H11ClO/c1-2-3-5-6(4-7)8-5/h5-6H,2-4H2,1H3
InChIKeyUEMRRMNEJABNGQ-UHFFFAOYSA-N
XLogP1.79
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
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)-3-propyloxirane 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)-3-propyloxirane?
The IUPAC name of 2-(chloromethyl)-3-propyloxirane (CID 18324215) is 2-(chloromethyl)-3-propyloxirane.
What is the SMILES notation for 2-(chloromethyl)-3-propyloxirane?
The canonical SMILES for 2-(chloromethyl)-3-propyloxirane is CCCC1OC1CCl.
What is the InChIKey of 2-(chloromethyl)-3-propyloxirane?
The InChIKey is UEMRRMNEJABNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO/c1-2-3-5-6(4-7)8-5/h5-6H,2-4H2,1H3.
What are the key properties of 2-(chloromethyl)-3-propyloxirane?
2-(chloromethyl)-3-propyloxirane has a molecular weight of 134.61 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-propyloxirane is sourced from PubChem (CID 18324215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).