3-methyl-9-oxabicyclo[3.3.1]nonane

C9H16O — CID 130402179

IUPAC3-methyl-9-oxabicyclo[3.3.1]nonane
SMILESCC1CC2CCCC(C1)O2
InChIInChI=1S/C9H16O/c1-7-5-8-3-2-4-9(6-7)10-8/h7-9H,2-6H2,1H3
InChIKeyVWUMHCZAIRENGU-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.35
Rot. Bonds

About 3-methyl-9-oxabicyclo[3.3.1]nonane

3-methyl-9-oxabicyclo[3.3.1]nonane (PubChem CID 130402179) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-methyl-9-oxabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-methyl-9-oxabicyclo[3.3.1]nonane
PubChem CID130402179
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3-methyl-9-oxabicyclo[3.3.1]nonane
SMILESCC1CC2CCCC(C1)O2
InChIInChI=1S/C9H16O/c1-7-5-8-3-2-4-9(6-7)10-8/h7-9H,2-6H2,1H3
InChIKeyVWUMHCZAIRENGU-UHFFFAOYSA-N
XLogP2.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-oxabicyclo[3.3.1]nonane?
The IUPAC name of 3-methyl-9-oxabicyclo[3.3.1]nonane (CID 130402179) is 3-methyl-9-oxabicyclo[3.3.1]nonane.
What is the SMILES notation for 3-methyl-9-oxabicyclo[3.3.1]nonane?
The canonical SMILES for 3-methyl-9-oxabicyclo[3.3.1]nonane is CC1CC2CCCC(C1)O2.
What is the InChIKey of 3-methyl-9-oxabicyclo[3.3.1]nonane?
The InChIKey is VWUMHCZAIRENGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7-5-8-3-2-4-9(6-7)10-8/h7-9H,2-6H2,1H3.
What are the key properties of 3-methyl-9-oxabicyclo[3.3.1]nonane?
3-methyl-9-oxabicyclo[3.3.1]nonane has a molecular weight of 140.23 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-oxabicyclo[3.3.1]nonane is sourced from PubChem (CID 130402179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).