2-(5-oxooxolan-3-yl)acetyl chloride

C6H7ClO3 — CID 119098756

IUPAC2-(5-oxooxolan-3-yl)acetyl chloride
SMILESO=C(Cl)CC1COC(=O)C1
InChIInChI=1S/C6H7ClO3/c7-5(8)1-4-2-6(9)10-3-4/h4H,1-3H2
InChIKeyRFMXHGGBNCWJET-UHFFFAOYSA-N
MW162.57 g/mol
LogP0.70
Rot. Bonds2

About 2-(5-oxooxolan-3-yl)acetyl chloride

2-(5-oxooxolan-3-yl)acetyl chloride (PubChem CID 119098756) has the molecular formula C6H7ClO3 and a molecular weight of 162.57 g/mol. Its IUPAC name is 2-(5-oxooxolan-3-yl)acetyl chloride.

Molecular Properties

Compound Name2-(5-oxooxolan-3-yl)acetyl chloride
PubChem CID119098756
Molecular FormulaC6H7ClO3
Molecular Weight162.57 g/mol
Exact Mass162.01
IUPAC Name2-(5-oxooxolan-3-yl)acetyl chloride
SMILESO=C(Cl)CC1COC(=O)C1
InChIInChI=1S/C6H7ClO3/c7-5(8)1-4-2-6(9)10-3-4/h4H,1-3H2
InChIKeyRFMXHGGBNCWJET-UHFFFAOYSA-N
XLogP0.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.57
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxooxolan-3-yl)acetyl chloride?
The IUPAC name of 2-(5-oxooxolan-3-yl)acetyl chloride (CID 119098756) is 2-(5-oxooxolan-3-yl)acetyl chloride.
What is the SMILES notation for 2-(5-oxooxolan-3-yl)acetyl chloride?
The canonical SMILES for 2-(5-oxooxolan-3-yl)acetyl chloride is O=C(Cl)CC1COC(=O)C1.
What is the InChIKey of 2-(5-oxooxolan-3-yl)acetyl chloride?
The InChIKey is RFMXHGGBNCWJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClO3/c7-5(8)1-4-2-6(9)10-3-4/h4H,1-3H2.
What are the key properties of 2-(5-oxooxolan-3-yl)acetyl chloride?
2-(5-oxooxolan-3-yl)acetyl chloride has a molecular weight of 162.57 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxooxolan-3-yl)acetyl chloride is sourced from PubChem (CID 119098756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).