2-chloro-5-methyloxolane

C5H9ClO — CID 69273626

IUPAC2-chloro-5-methyloxolane
SMILESCC1CCC(Cl)O1
InChIInChI=1S/C5H9ClO/c1-4-2-3-5(6)7-4/h4-5H,2-3H2,1H3
InChIKeyQJXFLXPTHHZVLD-UHFFFAOYSA-N
MW120.58 g/mol
LogP1.75
Rot. Bonds

About 2-chloro-5-methyloxolane

2-chloro-5-methyloxolane (PubChem CID 69273626) has the molecular formula C5H9ClO and a molecular weight of 120.58 g/mol. Its IUPAC name is 2-chloro-5-methyloxolane.

Molecular Properties

Compound Name2-chloro-5-methyloxolane
PubChem CID69273626
Molecular FormulaC5H9ClO
Molecular Weight120.58 g/mol
Exact Mass120.03
IUPAC Name2-chloro-5-methyloxolane
SMILESCC1CCC(Cl)O1
InChIInChI=1S/C5H9ClO/c1-4-2-3-5(6)7-4/h4-5H,2-3H2,1H3
InChIKeyQJXFLXPTHHZVLD-UHFFFAOYSA-N
XLogP1.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.58
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-5-methyloxolane 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-chloro-5-methyloxolane?
The IUPAC name of 2-chloro-5-methyloxolane (CID 69273626) is 2-chloro-5-methyloxolane.
What is the SMILES notation for 2-chloro-5-methyloxolane?
The canonical SMILES for 2-chloro-5-methyloxolane is CC1CCC(Cl)O1.
What is the InChIKey of 2-chloro-5-methyloxolane?
The InChIKey is QJXFLXPTHHZVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO/c1-4-2-3-5(6)7-4/h4-5H,2-3H2,1H3.
What are the key properties of 2-chloro-5-methyloxolane?
2-chloro-5-methyloxolane has a molecular weight of 120.58 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyloxolane is sourced from PubChem (CID 69273626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).