2-methyl-6-oxabicyclo[3.2.0]heptane

C7H12O — CID 89027469

IUPAC2-methyl-6-oxabicyclo[3.2.0]heptane
SMILESCC1CCC2OCC12
InChIInChI=1S/C7H12O/c1-5-2-3-7-6(5)4-8-7/h5-7H,2-4H2,1H3
InChIKeyYWJDHMASXRRJNL-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.43
Rot. Bonds

About 2-methyl-6-oxabicyclo[3.2.0]heptane

2-methyl-6-oxabicyclo[3.2.0]heptane (PubChem CID 89027469) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2-methyl-6-oxabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name2-methyl-6-oxabicyclo[3.2.0]heptane
PubChem CID89027469
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2-methyl-6-oxabicyclo[3.2.0]heptane
SMILESCC1CCC2OCC12
InChIInChI=1S/C7H12O/c1-5-2-3-7-6(5)4-8-7/h5-7H,2-4H2,1H3
InChIKeyYWJDHMASXRRJNL-UHFFFAOYSA-N
XLogP1.43
TPSA9.23 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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxabicyclo[3.2.0]heptane?
The IUPAC name of 2-methyl-6-oxabicyclo[3.2.0]heptane (CID 89027469) is 2-methyl-6-oxabicyclo[3.2.0]heptane.
What is the SMILES notation for 2-methyl-6-oxabicyclo[3.2.0]heptane?
The canonical SMILES for 2-methyl-6-oxabicyclo[3.2.0]heptane is CC1CCC2OCC12.
What is the InChIKey of 2-methyl-6-oxabicyclo[3.2.0]heptane?
The InChIKey is YWJDHMASXRRJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-5-2-3-7-6(5)4-8-7/h5-7H,2-4H2,1H3.
What are the key properties of 2-methyl-6-oxabicyclo[3.2.0]heptane?
2-methyl-6-oxabicyclo[3.2.0]heptane 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-methyl-6-oxabicyclo[3.2.0]heptane is sourced from PubChem (CID 89027469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).