oxolane;propanoyl chloride

C7H13ClO2 — CID 159210867

IUPACoxolane;propanoyl chloride
SMILESC1CCOC1.CCC(=O)Cl
InChIInChI=1S/C4H8O.C3H5ClO/c1-2-4-5-3-1;1-2-3(4)5/h1-4H2;2H2,1H3
InChIKeyKQMBMWZLAKWBGJ-UHFFFAOYSA-N
MW164.63 g/mol
LogP1.96
Rot. Bonds1

About oxolane;propanoyl chloride

oxolane;propanoyl chloride (PubChem CID 159210867) has the molecular formula C7H13ClO2 and a molecular weight of 164.63 g/mol. Its IUPAC name is oxolane;propanoyl chloride.

Molecular Properties

Compound Nameoxolane;propanoyl chloride
PubChem CID159210867
Molecular FormulaC7H13ClO2
Molecular Weight164.63 g/mol
Exact Mass164.06
IUPAC Nameoxolane;propanoyl chloride
SMILESC1CCOC1.CCC(=O)Cl
InChIInChI=1S/C4H8O.C3H5ClO/c1-2-4-5-3-1;1-2-3(4)5/h1-4H2;2H2,1H3
InChIKeyKQMBMWZLAKWBGJ-UHFFFAOYSA-N
XLogP1.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.63
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze oxolane;propanoyl chloride 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 oxolane;propanoyl chloride?
The IUPAC name of oxolane;propanoyl chloride (CID 159210867) is oxolane;propanoyl chloride.
What is the SMILES notation for oxolane;propanoyl chloride?
The canonical SMILES for oxolane;propanoyl chloride is C1CCOC1.CCC(=O)Cl.
What is the InChIKey of oxolane;propanoyl chloride?
The InChIKey is KQMBMWZLAKWBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H5ClO/c1-2-4-5-3-1;1-2-3(4)5/h1-4H2;2H2,1H3.
What are the key properties of oxolane;propanoyl chloride?
oxolane;propanoyl chloride has a molecular weight of 164.63 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;propanoyl chloride is sourced from PubChem (CID 159210867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).