4-chlorooxolan-3-ol;formic acid

C5H9ClO4 — CID 71345549

IUPAC4-chlorooxolan-3-ol;formic acid
SMILESO=CO.OC1COCC1Cl
InChIInChI=1S/C4H7ClO2.CH2O2/c5-3-1-7-2-4(3)6;2-1-3/h3-4,6H,1-2H2;1H,(H,2,3)
InChIKeyDBNZFYYPJXNXSQ-UHFFFAOYSA-N
MW168.58 g/mol
LogP-0.31
Rot. Bonds

About 4-chlorooxolan-3-ol;formic acid

4-chlorooxolan-3-ol;formic acid (PubChem CID 71345549) has the molecular formula C5H9ClO4 and a molecular weight of 168.58 g/mol. Its IUPAC name is 4-chlorooxolan-3-ol;formic acid.

Molecular Properties

Compound Name4-chlorooxolan-3-ol;formic acid
PubChem CID71345549
Molecular FormulaC5H9ClO4
Molecular Weight168.58 g/mol
Exact Mass168.02
IUPAC Name4-chlorooxolan-3-ol;formic acid
SMILESO=CO.OC1COCC1Cl
InChIInChI=1S/C4H7ClO2.CH2O2/c5-3-1-7-2-4(3)6;2-1-3/h3-4,6H,1-2H2;1H,(H,2,3)
InChIKeyDBNZFYYPJXNXSQ-UHFFFAOYSA-N
XLogP-0.31
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.58
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chlorooxolan-3-ol;formic acid 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 4-chlorooxolan-3-ol;formic acid?
The IUPAC name of 4-chlorooxolan-3-ol;formic acid (CID 71345549) is 4-chlorooxolan-3-ol;formic acid.
What is the SMILES notation for 4-chlorooxolan-3-ol;formic acid?
The canonical SMILES for 4-chlorooxolan-3-ol;formic acid is O=CO.OC1COCC1Cl.
What is the InChIKey of 4-chlorooxolan-3-ol;formic acid?
The InChIKey is DBNZFYYPJXNXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO2.CH2O2/c5-3-1-7-2-4(3)6;2-1-3/h3-4,6H,1-2H2;1H,(H,2,3).
What are the key properties of 4-chlorooxolan-3-ol;formic acid?
4-chlorooxolan-3-ol;formic acid has a molecular weight of 168.58 g/mol, XLogP of -0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorooxolan-3-ol;formic acid is sourced from PubChem (CID 71345549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).