3-oxabicyclo[3.1.0]hexane

C5H8O — CID 56613357

IUPAC3-oxabicyclo[3.1.0]hexane
SMILESC1OCC2CC12
InChIInChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2
InChIKeyZXKBVCUVSLFOSC-UHFFFAOYSA-N
MW84.12 g/mol
LogP0.65
Rot. Bonds

About 3-oxabicyclo[3.1.0]hexane

3-oxabicyclo[3.1.0]hexane (PubChem CID 56613357) has the molecular formula C5H8O and a molecular weight of 84.12 g/mol. Its IUPAC name is 3-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-oxabicyclo[3.1.0]hexane
PubChem CID56613357
Molecular FormulaC5H8O
Molecular Weight84.12 g/mol
Exact Mass84.06
IUPAC Name3-oxabicyclo[3.1.0]hexane
SMILESC1OCC2CC12
InChIInChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2
InChIKeyZXKBVCUVSLFOSC-UHFFFAOYSA-N
XLogP0.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-oxabicyclo[3.1.0]hexane 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 3-oxabicyclo[3.1.0]hexane?
The IUPAC name of 3-oxabicyclo[3.1.0]hexane (CID 56613357) is 3-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-oxabicyclo[3.1.0]hexane?
The canonical SMILES for 3-oxabicyclo[3.1.0]hexane is C1OCC2CC12.
What is the InChIKey of 3-oxabicyclo[3.1.0]hexane?
The InChIKey is ZXKBVCUVSLFOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2.
What are the key properties of 3-oxabicyclo[3.1.0]hexane?
3-oxabicyclo[3.1.0]hexane has a molecular weight of 84.12 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 56613357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).