(1S,2S,5R,8R,10R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one

C15H24O2 — CID 46906791

IUPAC(1S,2S,5R,8R,10R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one
SMILESC[C@H]1CC[C@H]2C(C)(C)C(=O)[C@@]3(C)C[C@@H](O)[C@@]12C3
InChIInChI=1S/C15H24O2/c1-9-5-6-10-13(2,3)12(17)14(4)7-11(16)15(9,10)8-14/h9-11,16H,5-8H2,1-4H3/t9-,10-,11+,14-,15-/m0/s1
InChIKeyDDUWSZBURGHFEW-VHKOSHJNSA-N
MW236.35 g/mol
LogP2.79
Rot. Bonds

About (1S,2S,5R,8R,10R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one

(1S,2S,5R,8R,10R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one (PubChem CID 46906791) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1S,2S,5R,8R,10R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one.

Molecular Properties

Compound Name(1S,2S,5R,8R,10R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one
PubChem CID46906791
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1S,2S,5R,8R,10R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one
SMILESC[C@H]1CC[C@H]2C(C)(C)C(=O)[C@@]3(C)C[C@@H](O)[C@@]12C3
InChIInChI=1S/C15H24O2/c1-9-5-6-10-13(2,3)12(17)14(4)7-11(16)15(9,10)8-14/h9-11,16H,5-8H2,1-4H3/t9-,10-,11+,14-,15-/m0/s1
InChIKeyDDUWSZBURGHFEW-VHKOSHJNSA-N
XLogP2.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2S,5R,8R,10R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-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,2S,5R,8R,10R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one?
The IUPAC name of (1S,2S,5R,8R,10R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one (CID 46906791) is (1S,2S,5R,8R,10R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one.
What is the SMILES notation for (1S,2S,5R,8R,10R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one?
The canonical SMILES for (1S,2S,5R,8R,10R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one is C[C@H]1CC[C@H]2C(C)(C)C(=O)[C@@]3(C)C[C@@H](O)[C@@]12C3.
What is the InChIKey of (1S,2S,5R,8R,10R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one?
The InChIKey is DDUWSZBURGHFEW-VHKOSHJNSA-N. The full InChI is InChI=1S/C15H24O2/c1-9-5-6-10-13(2,3)12(17)14(4)7-11(16)15(9,10)8-14/h9-11,16H,5-8H2,1-4H3/t9-,10-,11+,14-,15-/m0/s1.
What are the key properties of (1S,2S,5R,8R,10R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one?
(1S,2S,5R,8R,10R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one has a molecular weight of 236.35 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R,8R,10R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one is sourced from PubChem (CID 46906791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).