5-methyl-2-oxabicyclo[2.2.0]hexane

C6H10O — CID 123928307

IUPAC5-methyl-2-oxabicyclo[2.2.0]hexane
SMILESCC1CC2OCC12
InChIInChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3
InChIKeyBTKAGYGCRCEDMI-UHFFFAOYSA-N
MW98.15 g/mol
LogP1.04
Rot. Bonds

About 5-methyl-2-oxabicyclo[2.2.0]hexane

5-methyl-2-oxabicyclo[2.2.0]hexane (PubChem CID 123928307) has the molecular formula C6H10O and a molecular weight of 98.15 g/mol. Its IUPAC name is 5-methyl-2-oxabicyclo[2.2.0]hexane.

Molecular Properties

Compound Name5-methyl-2-oxabicyclo[2.2.0]hexane
PubChem CID123928307
Molecular FormulaC6H10O
Molecular Weight98.15 g/mol
Exact Mass98.07
IUPAC Name5-methyl-2-oxabicyclo[2.2.0]hexane
SMILESCC1CC2OCC12
InChIInChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3
InChIKeyBTKAGYGCRCEDMI-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-oxabicyclo[2.2.0]hexane?
The IUPAC name of 5-methyl-2-oxabicyclo[2.2.0]hexane (CID 123928307) is 5-methyl-2-oxabicyclo[2.2.0]hexane.
What is the SMILES notation for 5-methyl-2-oxabicyclo[2.2.0]hexane?
The canonical SMILES for 5-methyl-2-oxabicyclo[2.2.0]hexane is CC1CC2OCC12.
What is the InChIKey of 5-methyl-2-oxabicyclo[2.2.0]hexane?
The InChIKey is BTKAGYGCRCEDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3.
What are the key properties of 5-methyl-2-oxabicyclo[2.2.0]hexane?
5-methyl-2-oxabicyclo[2.2.0]hexane has a molecular weight of 98.15 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-oxabicyclo[2.2.0]hexane is sourced from PubChem (CID 123928307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).