1-methyl-9-oxabicyclo[3.3.1]nonane

C9H16O — CID 54377321

IUPAC1-methyl-9-oxabicyclo[3.3.1]nonane
SMILESCC12CCCC(CCC1)O2
InChIInChI=1S/C9H16O/c1-9-6-2-4-8(10-9)5-3-7-9/h8H,2-7H2,1H3
InChIKeyUXLHUNTWIDTIGD-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.50
Rot. Bonds

About 1-methyl-9-oxabicyclo[3.3.1]nonane

1-methyl-9-oxabicyclo[3.3.1]nonane (PubChem CID 54377321) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-methyl-9-oxabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name1-methyl-9-oxabicyclo[3.3.1]nonane
PubChem CID54377321
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-methyl-9-oxabicyclo[3.3.1]nonane
SMILESCC12CCCC(CCC1)O2
InChIInChI=1S/C9H16O/c1-9-6-2-4-8(10-9)5-3-7-9/h8H,2-7H2,1H3
InChIKeyUXLHUNTWIDTIGD-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-9-oxabicyclo[3.3.1]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-oxabicyclo[3.3.1]nonane?
The IUPAC name of 1-methyl-9-oxabicyclo[3.3.1]nonane (CID 54377321) is 1-methyl-9-oxabicyclo[3.3.1]nonane.
What is the SMILES notation for 1-methyl-9-oxabicyclo[3.3.1]nonane?
The canonical SMILES for 1-methyl-9-oxabicyclo[3.3.1]nonane is CC12CCCC(CCC1)O2.
What is the InChIKey of 1-methyl-9-oxabicyclo[3.3.1]nonane?
The InChIKey is UXLHUNTWIDTIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-9-6-2-4-8(10-9)5-3-7-9/h8H,2-7H2,1H3.
What are the key properties of 1-methyl-9-oxabicyclo[3.3.1]nonane?
1-methyl-9-oxabicyclo[3.3.1]nonane has a molecular weight of 140.23 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-oxabicyclo[3.3.1]nonane is sourced from PubChem (CID 54377321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).