5-(oxolan-2-yl)oxolan-2-one

C8H12O3 — CID 551231

IUPAC5-(oxolan-2-yl)oxolan-2-one
SMILESO=C1CCC(C2CCCO2)O1
InChIInChI=1S/C8H12O3/c9-8-4-3-7(11-8)6-2-1-5-10-6/h6-7H,1-5H2
InChIKeyPXSJLZKNXYCEQW-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.87
Rot. Bonds1

About 5-(oxolan-2-yl)oxolan-2-one

5-(oxolan-2-yl)oxolan-2-one (PubChem CID 551231) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 5-(oxolan-2-yl)oxolan-2-one.

Molecular Properties

Compound Name5-(oxolan-2-yl)oxolan-2-one
PubChem CID551231
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name5-(oxolan-2-yl)oxolan-2-one
SMILESO=C1CCC(C2CCCO2)O1
InChIInChI=1S/C8H12O3/c9-8-4-3-7(11-8)6-2-1-5-10-6/h6-7H,1-5H2
InChIKeyPXSJLZKNXYCEQW-UHFFFAOYSA-N
XLogP0.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(oxolan-2-yl)oxolan-2-one 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 5-(oxolan-2-yl)oxolan-2-one?
The IUPAC name of 5-(oxolan-2-yl)oxolan-2-one (CID 551231) is 5-(oxolan-2-yl)oxolan-2-one.
What is the SMILES notation for 5-(oxolan-2-yl)oxolan-2-one?
The canonical SMILES for 5-(oxolan-2-yl)oxolan-2-one is O=C1CCC(C2CCCO2)O1.
What is the InChIKey of 5-(oxolan-2-yl)oxolan-2-one?
The InChIKey is PXSJLZKNXYCEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c9-8-4-3-7(11-8)6-2-1-5-10-6/h6-7H,1-5H2.
What are the key properties of 5-(oxolan-2-yl)oxolan-2-one?
5-(oxolan-2-yl)oxolan-2-one has a molecular weight of 156.18 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)oxolan-2-one is sourced from PubChem (CID 551231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).