(1R,5R,6S,8R,9S)-5,6,9-trimethyltricyclo[6.2.2.01,6]dodecan-9-ol

C15H26O — CID 163088356

IUPAC(1R,5R,6S,8R,9S)-5,6,9-trimethyltricyclo[6.2.2.01,6]dodecan-9-ol
SMILESC[C@@H]1CCC[C@]23CC[C@H](C[C@@]12C)[C@@](C)(O)C3
InChIInChI=1S/C15H26O/c1-11-5-4-7-15-8-6-12(9-13(11,15)2)14(3,16)10-15/h11-12,16H,4-10H2,1-3H3/t11-,12-,13+,14+,15-/m1/s1
InChIKeyNOIYPYZTDMDJHQ-NIFZNCRKSA-N
MW222.37 g/mol
LogP3.75
Rot. Bonds

About (1R,5R,6S,8R,9S)-5,6,9-trimethyltricyclo[6.2.2.01,6]dodecan-9-ol

(1R,5R,6S,8R,9S)-5,6,9-trimethyltricyclo[6.2.2.01,6]dodecan-9-ol (PubChem CID 163088356) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1R,5R,6S,8R,9S)-5,6,9-trimethyltricyclo[6.2.2.01,6]dodecan-9-ol.

Molecular Properties

Compound Name(1R,5R,6S,8R,9S)-5,6,9-trimethyltricyclo[6.2.2.01,6]dodecan-9-ol
PubChem CID163088356
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1R,5R,6S,8R,9S)-5,6,9-trimethyltricyclo[6.2.2.01,6]dodecan-9-ol
SMILESC[C@@H]1CCC[C@]23CC[C@H](C[C@@]12C)[C@@](C)(O)C3
InChIInChI=1S/C15H26O/c1-11-5-4-7-15-8-6-12(9-13(11,15)2)14(3,16)10-15/h11-12,16H,4-10H2,1-3H3/t11-,12-,13+,14+,15-/m1/s1
InChIKeyNOIYPYZTDMDJHQ-NIFZNCRKSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,5R,6S,8R,9S)-5,6,9-trimethyltricyclo[6.2.2.01,6]dodecan-9-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 (1R,5R,6S,8R,9S)-5,6,9-trimethyltricyclo[6.2.2.01,6]dodecan-9-ol?
The IUPAC name of (1R,5R,6S,8R,9S)-5,6,9-trimethyltricyclo[6.2.2.01,6]dodecan-9-ol (CID 163088356) is (1R,5R,6S,8R,9S)-5,6,9-trimethyltricyclo[6.2.2.01,6]dodecan-9-ol.
What is the SMILES notation for (1R,5R,6S,8R,9S)-5,6,9-trimethyltricyclo[6.2.2.01,6]dodecan-9-ol?
The canonical SMILES for (1R,5R,6S,8R,9S)-5,6,9-trimethyltricyclo[6.2.2.01,6]dodecan-9-ol is C[C@@H]1CCC[C@]23CC[C@H](C[C@@]12C)[C@@](C)(O)C3.
What is the InChIKey of (1R,5R,6S,8R,9S)-5,6,9-trimethyltricyclo[6.2.2.01,6]dodecan-9-ol?
The InChIKey is NOIYPYZTDMDJHQ-NIFZNCRKSA-N. The full InChI is InChI=1S/C15H26O/c1-11-5-4-7-15-8-6-12(9-13(11,15)2)14(3,16)10-15/h11-12,16H,4-10H2,1-3H3/t11-,12-,13+,14+,15-/m1/s1.
What are the key properties of (1R,5R,6S,8R,9S)-5,6,9-trimethyltricyclo[6.2.2.01,6]dodecan-9-ol?
(1R,5R,6S,8R,9S)-5,6,9-trimethyltricyclo[6.2.2.01,6]dodecan-9-ol has a molecular weight of 222.37 g/mol, XLogP of 3.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6S,8R,9S)-5,6,9-trimethyltricyclo[6.2.2.01,6]dodecan-9-ol is sourced from PubChem (CID 163088356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).