6-methyl-3-oxabicyclo[3.1.0]hexane

C6H10O — CID 22965786

IUPAC6-methyl-3-oxabicyclo[3.1.0]hexane
SMILESCC1C2COCC12
InChIInChI=1S/C6H10O/c1-4-5-2-7-3-6(4)5/h4-6H,2-3H2,1H3
InChIKeyXZLMFPFEGNNXKW-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.90
Rot. Bonds

About 6-methyl-3-oxabicyclo[3.1.0]hexane

6-methyl-3-oxabicyclo[3.1.0]hexane (PubChem CID 22965786) has the molecular formula C6H10O and a molecular weight of 98.15 g/mol. Its IUPAC name is 6-methyl-3-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-methyl-3-oxabicyclo[3.1.0]hexane
PubChem CID22965786
Molecular FormulaC6H10O
Molecular Weight98.15 g/mol
Exact Mass98.07
IUPAC Name6-methyl-3-oxabicyclo[3.1.0]hexane
SMILESCC1C2COCC12
InChIInChI=1S/C6H10O/c1-4-5-2-7-3-6(4)5/h4-6H,2-3H2,1H3
InChIKeyXZLMFPFEGNNXKW-UHFFFAOYSA-N
XLogP0.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-methyl-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 6-methyl-3-oxabicyclo[3.1.0]hexane?
The IUPAC name of 6-methyl-3-oxabicyclo[3.1.0]hexane (CID 22965786) is 6-methyl-3-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-methyl-3-oxabicyclo[3.1.0]hexane?
The canonical SMILES for 6-methyl-3-oxabicyclo[3.1.0]hexane is CC1C2COCC12.
What is the InChIKey of 6-methyl-3-oxabicyclo[3.1.0]hexane?
The InChIKey is XZLMFPFEGNNXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-4-5-2-7-3-6(4)5/h4-6H,2-3H2,1H3.
What are the key properties of 6-methyl-3-oxabicyclo[3.1.0]hexane?
6-methyl-3-oxabicyclo[3.1.0]hexane has a molecular weight of 98.15 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 22965786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).