2,3-dimethyl-6-oxabicyclo[3.1.0]hexane

C7H12O — CID 23567810

IUPAC2,3-dimethyl-6-oxabicyclo[3.1.0]hexane
SMILESCC1CC2OC2C1C
InChIInChI=1S/C7H12O/c1-4-3-6-7(8-6)5(4)2/h4-7H,3H2,1-2H3
InChIKeyBIJLLOXMXFWDIV-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.43
Rot. Bonds

About 2,3-dimethyl-6-oxabicyclo[3.1.0]hexane

2,3-dimethyl-6-oxabicyclo[3.1.0]hexane (PubChem CID 23567810) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2,3-dimethyl-6-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2,3-dimethyl-6-oxabicyclo[3.1.0]hexane
PubChem CID23567810
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2,3-dimethyl-6-oxabicyclo[3.1.0]hexane
SMILESCC1CC2OC2C1C
InChIInChI=1S/C7H12O/c1-4-3-6-7(8-6)5(4)2/h4-7H,3H2,1-2H3
InChIKeyBIJLLOXMXFWDIV-UHFFFAOYSA-N
XLogP1.43
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-oxabicyclo[3.1.0]hexane?
The IUPAC name of 2,3-dimethyl-6-oxabicyclo[3.1.0]hexane (CID 23567810) is 2,3-dimethyl-6-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for 2,3-dimethyl-6-oxabicyclo[3.1.0]hexane?
The canonical SMILES for 2,3-dimethyl-6-oxabicyclo[3.1.0]hexane is CC1CC2OC2C1C.
What is the InChIKey of 2,3-dimethyl-6-oxabicyclo[3.1.0]hexane?
The InChIKey is BIJLLOXMXFWDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-4-3-6-7(8-6)5(4)2/h4-7H,3H2,1-2H3.
What are the key properties of 2,3-dimethyl-6-oxabicyclo[3.1.0]hexane?
2,3-dimethyl-6-oxabicyclo[3.1.0]hexane has a molecular weight of 112.17 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 23567810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).