2-(dichloromethyl)oxolane

C5H8Cl2O — CID 551259

IUPAC2-(dichloromethyl)oxolane
SMILESClC(Cl)C1CCCO1
InChIInChI=1S/C5H8Cl2O/c6-5(7)4-2-1-3-8-4/h4-5H,1-3H2
InChIKeyLRRYUPYELLDERY-UHFFFAOYSA-N
MW155.02 g/mol
LogP1.97
Rot. Bonds1

About 2-(dichloromethyl)oxolane

2-(dichloromethyl)oxolane (PubChem CID 551259) has the molecular formula C5H8Cl2O and a molecular weight of 155.02 g/mol. Its IUPAC name is 2-(dichloromethyl)oxolane.

Molecular Properties

Compound Name2-(dichloromethyl)oxolane
PubChem CID551259
Molecular FormulaC5H8Cl2O
Molecular Weight155.02 g/mol
Exact Mass154.00
IUPAC Name2-(dichloromethyl)oxolane
SMILESClC(Cl)C1CCCO1
InChIInChI=1S/C5H8Cl2O/c6-5(7)4-2-1-3-8-4/h4-5H,1-3H2
InChIKeyLRRYUPYELLDERY-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)oxolane?
The IUPAC name of 2-(dichloromethyl)oxolane (CID 551259) is 2-(dichloromethyl)oxolane.
What is the SMILES notation for 2-(dichloromethyl)oxolane?
The canonical SMILES for 2-(dichloromethyl)oxolane is ClC(Cl)C1CCCO1.
What is the InChIKey of 2-(dichloromethyl)oxolane?
The InChIKey is LRRYUPYELLDERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2O/c6-5(7)4-2-1-3-8-4/h4-5H,1-3H2.
What are the key properties of 2-(dichloromethyl)oxolane?
2-(dichloromethyl)oxolane has a molecular weight of 155.02 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)oxolane is sourced from PubChem (CID 551259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).