6-methyl-3-oxabicyclo[3.1.1]heptane

C7H12O — CID 139336513

IUPAC6-methyl-3-oxabicyclo[3.1.1]heptane
SMILESCC1C2COCC1C2
InChIInChI=1S/C7H12O/c1-5-6-2-7(5)4-8-3-6/h5-7H,2-4H2,1H3
InChIKeyWEHCDHBWGLJJPY-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.29
Rot. Bonds

About 6-methyl-3-oxabicyclo[3.1.1]heptane

6-methyl-3-oxabicyclo[3.1.1]heptane (PubChem CID 139336513) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 6-methyl-3-oxabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-methyl-3-oxabicyclo[3.1.1]heptane
PubChem CID139336513
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name6-methyl-3-oxabicyclo[3.1.1]heptane
SMILESCC1C2COCC1C2
InChIInChI=1S/C7H12O/c1-5-6-2-7(5)4-8-3-6/h5-7H,2-4H2,1H3
InChIKeyWEHCDHBWGLJJPY-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-oxabicyclo[3.1.1]heptane?
The IUPAC name of 6-methyl-3-oxabicyclo[3.1.1]heptane (CID 139336513) is 6-methyl-3-oxabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-methyl-3-oxabicyclo[3.1.1]heptane?
The canonical SMILES for 6-methyl-3-oxabicyclo[3.1.1]heptane is CC1C2COCC1C2.
What is the InChIKey of 6-methyl-3-oxabicyclo[3.1.1]heptane?
The InChIKey is WEHCDHBWGLJJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-5-6-2-7(5)4-8-3-6/h5-7H,2-4H2,1H3.
What are the key properties of 6-methyl-3-oxabicyclo[3.1.1]heptane?
6-methyl-3-oxabicyclo[3.1.1]heptane has a molecular weight of 112.17 g/mol, XLogP of 1.29, 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[3.1.1]heptane is sourced from PubChem (CID 139336513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).