3-chloro-2-(chloromethyl)oxolane

C5H8Cl2O — CID 174917237

IUPAC3-chloro-2-(chloromethyl)oxolane
SMILESClCC1OCCC1Cl
InChIInChI=1S/C5H8Cl2O/c6-3-5-4(7)1-2-8-5/h4-5H,1-3H2
InChIKeyRYBORIIUZZVZCN-UHFFFAOYSA-N
MW155.02 g/mol
LogP1.62
Rot. Bonds1

About 3-chloro-2-(chloromethyl)oxolane

3-chloro-2-(chloromethyl)oxolane (PubChem CID 174917237) has the molecular formula C5H8Cl2O and a molecular weight of 155.02 g/mol. Its IUPAC name is 3-chloro-2-(chloromethyl)oxolane.

Molecular Properties

Compound Name3-chloro-2-(chloromethyl)oxolane
PubChem CID174917237
Molecular FormulaC5H8Cl2O
Molecular Weight155.02 g/mol
Exact Mass154.00
IUPAC Name3-chloro-2-(chloromethyl)oxolane
SMILESClCC1OCCC1Cl
InChIInChI=1S/C5H8Cl2O/c6-3-5-4(7)1-2-8-5/h4-5H,1-3H2
InChIKeyRYBORIIUZZVZCN-UHFFFAOYSA-N
XLogP1.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.02
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-2-(chloromethyl)oxolane 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 3-chloro-2-(chloromethyl)oxolane?
The IUPAC name of 3-chloro-2-(chloromethyl)oxolane (CID 174917237) is 3-chloro-2-(chloromethyl)oxolane.
What is the SMILES notation for 3-chloro-2-(chloromethyl)oxolane?
The canonical SMILES for 3-chloro-2-(chloromethyl)oxolane is ClCC1OCCC1Cl.
What is the InChIKey of 3-chloro-2-(chloromethyl)oxolane?
The InChIKey is RYBORIIUZZVZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2O/c6-3-5-4(7)1-2-8-5/h4-5H,1-3H2.
What are the key properties of 3-chloro-2-(chloromethyl)oxolane?
3-chloro-2-(chloromethyl)oxolane has a molecular weight of 155.02 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(chloromethyl)oxolane is sourced from PubChem (CID 174917237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).