(1S,5R)-7-hydroxy-6,6-dimethyltricyclo[3.3.3.01,5]undecan-2-one

C13H20O2 — CID 162786825

IUPAC(1S,5R)-7-hydroxy-6,6-dimethyltricyclo[3.3.3.01,5]undecan-2-one
SMILESCC1(C)C(O)C[C@@]23CCC[C@@]12CCC3=O
InChIInChI=1S/C13H20O2/c1-11(2)10(15)8-12-5-3-6-13(11,12)7-4-9(12)14/h10,15H,3-8H2,1-2H3/t10?,12-,13-/m1/s1
InChIKeyUMIBAJTYLBVHNM-SKVSWLLESA-N
MW208.30 g/mol
LogP2.30
Rot. Bonds

About (1S,5R)-7-hydroxy-6,6-dimethyltricyclo[3.3.3.01,5]undecan-2-one

(1S,5R)-7-hydroxy-6,6-dimethyltricyclo[3.3.3.01,5]undecan-2-one (PubChem CID 162786825) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (1S,5R)-7-hydroxy-6,6-dimethyltricyclo[3.3.3.01,5]undecan-2-one.

Molecular Properties

Compound Name(1S,5R)-7-hydroxy-6,6-dimethyltricyclo[3.3.3.01,5]undecan-2-one
PubChem CID162786825
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(1S,5R)-7-hydroxy-6,6-dimethyltricyclo[3.3.3.01,5]undecan-2-one
SMILESCC1(C)C(O)C[C@@]23CCC[C@@]12CCC3=O
InChIInChI=1S/C13H20O2/c1-11(2)10(15)8-12-5-3-6-13(11,12)7-4-9(12)14/h10,15H,3-8H2,1-2H3/t10?,12-,13-/m1/s1
InChIKeyUMIBAJTYLBVHNM-SKVSWLLESA-N
XLogP2.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,5R)-7-hydroxy-6,6-dimethyltricyclo[3.3.3.01,5]undecan-2-one 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 (1S,5R)-7-hydroxy-6,6-dimethyltricyclo[3.3.3.01,5]undecan-2-one?
The IUPAC name of (1S,5R)-7-hydroxy-6,6-dimethyltricyclo[3.3.3.01,5]undecan-2-one (CID 162786825) is (1S,5R)-7-hydroxy-6,6-dimethyltricyclo[3.3.3.01,5]undecan-2-one.
What is the SMILES notation for (1S,5R)-7-hydroxy-6,6-dimethyltricyclo[3.3.3.01,5]undecan-2-one?
The canonical SMILES for (1S,5R)-7-hydroxy-6,6-dimethyltricyclo[3.3.3.01,5]undecan-2-one is CC1(C)C(O)C[C@@]23CCC[C@@]12CCC3=O.
What is the InChIKey of (1S,5R)-7-hydroxy-6,6-dimethyltricyclo[3.3.3.01,5]undecan-2-one?
The InChIKey is UMIBAJTYLBVHNM-SKVSWLLESA-N. The full InChI is InChI=1S/C13H20O2/c1-11(2)10(15)8-12-5-3-6-13(11,12)7-4-9(12)14/h10,15H,3-8H2,1-2H3/t10?,12-,13-/m1/s1.
What are the key properties of (1S,5R)-7-hydroxy-6,6-dimethyltricyclo[3.3.3.01,5]undecan-2-one?
(1S,5R)-7-hydroxy-6,6-dimethyltricyclo[3.3.3.01,5]undecan-2-one has a molecular weight of 208.30 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-7-hydroxy-6,6-dimethyltricyclo[3.3.3.01,5]undecan-2-one is sourced from PubChem (CID 162786825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).