1,2,4,6-tetramethylbicyclo[3.2.1]octane

C12H22 — CID 90773469

IUPAC1,2,4,6-tetramethylbicyclo[3.2.1]octane
SMILESCC1CC(C)C2(C)CC(C)C1C2
InChIInChI=1S/C12H22/c1-8-5-10(3)12(4)6-9(2)11(8)7-12/h8-11H,5-7H2,1-4H3
InChIKeyNLKGHHXVKZLKDK-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.71
Rot. Bonds

About 1,2,4,6-tetramethylbicyclo[3.2.1]octane

1,2,4,6-tetramethylbicyclo[3.2.1]octane (PubChem CID 90773469) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1,2,4,6-tetramethylbicyclo[3.2.1]octane.

Molecular Properties

Compound Name1,2,4,6-tetramethylbicyclo[3.2.1]octane
PubChem CID90773469
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1,2,4,6-tetramethylbicyclo[3.2.1]octane
SMILESCC1CC(C)C2(C)CC(C)C1C2
InChIInChI=1S/C12H22/c1-8-5-10(3)12(4)6-9(2)11(8)7-12/h8-11H,5-7H2,1-4H3
InChIKeyNLKGHHXVKZLKDK-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,4,6-tetramethylbicyclo[3.2.1]octane 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 1,2,4,6-tetramethylbicyclo[3.2.1]octane?
The IUPAC name of 1,2,4,6-tetramethylbicyclo[3.2.1]octane (CID 90773469) is 1,2,4,6-tetramethylbicyclo[3.2.1]octane.
What is the SMILES notation for 1,2,4,6-tetramethylbicyclo[3.2.1]octane?
The canonical SMILES for 1,2,4,6-tetramethylbicyclo[3.2.1]octane is CC1CC(C)C2(C)CC(C)C1C2.
What is the InChIKey of 1,2,4,6-tetramethylbicyclo[3.2.1]octane?
The InChIKey is NLKGHHXVKZLKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-8-5-10(3)12(4)6-9(2)11(8)7-12/h8-11H,5-7H2,1-4H3.
What are the key properties of 1,2,4,6-tetramethylbicyclo[3.2.1]octane?
1,2,4,6-tetramethylbicyclo[3.2.1]octane has a molecular weight of 166.31 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,6-tetramethylbicyclo[3.2.1]octane is sourced from PubChem (CID 90773469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).