1-(methoxymethyl)-3-methylbicyclo[3.3.1]nonane

C12H22O — CID 139399772

IUPAC1-(methoxymethyl)-3-methylbicyclo[3.3.1]nonane
SMILESCOCC12CCCC(CC(C)C1)C2
InChIInChI=1S/C12H22O/c1-10-6-11-4-3-5-12(7-10,8-11)9-13-2/h10-11H,3-9H2,1-2H3
InChIKeyYFGSLEWOSIRFLP-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.24
Rot. Bonds2

About 1-(methoxymethyl)-3-methylbicyclo[3.3.1]nonane

1-(methoxymethyl)-3-methylbicyclo[3.3.1]nonane (PubChem CID 139399772) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(methoxymethyl)-3-methylbicyclo[3.3.1]nonane.

Molecular Properties

Compound Name1-(methoxymethyl)-3-methylbicyclo[3.3.1]nonane
PubChem CID139399772
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-(methoxymethyl)-3-methylbicyclo[3.3.1]nonane
SMILESCOCC12CCCC(CC(C)C1)C2
InChIInChI=1S/C12H22O/c1-10-6-11-4-3-5-12(7-10,8-11)9-13-2/h10-11H,3-9H2,1-2H3
InChIKeyYFGSLEWOSIRFLP-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(methoxymethyl)-3-methylbicyclo[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-(methoxymethyl)-3-methylbicyclo[3.3.1]nonane?
The IUPAC name of 1-(methoxymethyl)-3-methylbicyclo[3.3.1]nonane (CID 139399772) is 1-(methoxymethyl)-3-methylbicyclo[3.3.1]nonane.
What is the SMILES notation for 1-(methoxymethyl)-3-methylbicyclo[3.3.1]nonane?
The canonical SMILES for 1-(methoxymethyl)-3-methylbicyclo[3.3.1]nonane is COCC12CCCC(CC(C)C1)C2.
What is the InChIKey of 1-(methoxymethyl)-3-methylbicyclo[3.3.1]nonane?
The InChIKey is YFGSLEWOSIRFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-10-6-11-4-3-5-12(7-10,8-11)9-13-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-(methoxymethyl)-3-methylbicyclo[3.3.1]nonane?
1-(methoxymethyl)-3-methylbicyclo[3.3.1]nonane has a molecular weight of 182.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-3-methylbicyclo[3.3.1]nonane is sourced from PubChem (CID 139399772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).