1-tert-butyl-3,7-dimethylbicyclo[3.3.1]nonan-3-ol

C15H28O — CID 91108760

IUPAC1-tert-butyl-3,7-dimethylbicyclo[3.3.1]nonan-3-ol
SMILESCC1CC2CC(C)(O)CC(C(C)(C)C)(C1)C2
InChIInChI=1S/C15H28O/c1-11-6-12-8-14(5,16)10-15(7-11,9-12)13(2,3)4/h11-12,16H,6-10H2,1-5H3
InChIKeyBSTBTUVGSBFDCU-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.00
Rot. Bonds

About 1-tert-butyl-3,7-dimethylbicyclo[3.3.1]nonan-3-ol

1-tert-butyl-3,7-dimethylbicyclo[3.3.1]nonan-3-ol (PubChem CID 91108760) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-tert-butyl-3,7-dimethylbicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name1-tert-butyl-3,7-dimethylbicyclo[3.3.1]nonan-3-ol
PubChem CID91108760
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name1-tert-butyl-3,7-dimethylbicyclo[3.3.1]nonan-3-ol
SMILESCC1CC2CC(C)(O)CC(C(C)(C)C)(C1)C2
InChIInChI=1S/C15H28O/c1-11-6-12-8-14(5,16)10-15(7-11,9-12)13(2,3)4/h11-12,16H,6-10H2,1-5H3
InChIKeyBSTBTUVGSBFDCU-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-tert-butyl-3,7-dimethylbicyclo[3.3.1]nonan-3-ol 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-tert-butyl-3,7-dimethylbicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 1-tert-butyl-3,7-dimethylbicyclo[3.3.1]nonan-3-ol (CID 91108760) is 1-tert-butyl-3,7-dimethylbicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 1-tert-butyl-3,7-dimethylbicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 1-tert-butyl-3,7-dimethylbicyclo[3.3.1]nonan-3-ol is CC1CC2CC(C)(O)CC(C(C)(C)C)(C1)C2.
What is the InChIKey of 1-tert-butyl-3,7-dimethylbicyclo[3.3.1]nonan-3-ol?
The InChIKey is BSTBTUVGSBFDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-11-6-12-8-14(5,16)10-15(7-11,9-12)13(2,3)4/h11-12,16H,6-10H2,1-5H3.
What are the key properties of 1-tert-butyl-3,7-dimethylbicyclo[3.3.1]nonan-3-ol?
1-tert-butyl-3,7-dimethylbicyclo[3.3.1]nonan-3-ol has a molecular weight of 224.39 g/mol, XLogP of 4.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,7-dimethylbicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 91108760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).