(1S,2R,7R,8R,9S)-8-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-11-one

C15H24O2 — CID 162623234

IUPAC(1S,2R,7R,8R,9S)-8-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-11-one
SMILESCC1(C)CCC[C@]2(C)[C@H]3C(=O)C[C@]2(C)[C@H](O)[C@H]31
InChIInChI=1S/C15H24O2/c1-13(2)6-5-7-14(3)10-9(16)8-15(14,4)12(17)11(10)13/h10-12,17H,5-8H2,1-4H3/t10-,11-,12+,14+,15+/m0/s1
InChIKeyAIIPDSQXWYWMJI-CWFCOSEVSA-N
MW236.35 g/mol
LogP2.79
Rot. Bonds

About (1S,2R,7R,8R,9S)-8-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-11-one

(1S,2R,7R,8R,9S)-8-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-11-one (PubChem CID 162623234) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1S,2R,7R,8R,9S)-8-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-11-one.

Molecular Properties

Compound Name(1S,2R,7R,8R,9S)-8-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-11-one
PubChem CID162623234
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1S,2R,7R,8R,9S)-8-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-11-one
SMILESCC1(C)CCC[C@]2(C)[C@H]3C(=O)C[C@]2(C)[C@H](O)[C@H]31
InChIInChI=1S/C15H24O2/c1-13(2)6-5-7-14(3)10-9(16)8-15(14,4)12(17)11(10)13/h10-12,17H,5-8H2,1-4H3/t10-,11-,12+,14+,15+/m0/s1
InChIKeyAIIPDSQXWYWMJI-CWFCOSEVSA-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,2R,7R,8R,9S)-8-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-11-one with MolForge

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Related Compounds

methyl (2S,7R,8S,9R)-2,6,6,9-tetramethyl-11-oxotricyclo[5.4.0.02,9]undecane-8-carboxylate
CID 177482417
(1R,2S,7S,8S,9R,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol
CID 101316913
9-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol
CID 162973711
(3aS,6aR)-3a,6a-dimethyl-2-oxo-3,4,5,6-tetrahydro-1H-pentalene-1-carbonitrile
CID 131160350
1,5-dimethylbicyclo[3.2.0]heptan-6-one
CID 71351670
(1R,2R)-2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undec-10-en-9-one
CID 177389635
(1S,3S,4S,5S)-4-bromo-3-hydroxy-1-methylbicyclo[3.2.0]heptan-6-one
CID 11820702
(3aR,4S,7aR)-4-hydroxy-3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2H-inden-1-one
CID 10607509
(1R,6R,7S,11S)-11-hydroxy-2,2,6-trimethyltricyclo[5.2.2.01,6]undecan-9-one
CID 15546633
(3aR,6aS)-3a,6a-dimethyl-1-prop-2-enyl-3,4,5,6-tetrahydro-1H-pentalen-2-one
CID 134894502
(10R)-2,6,6-trimethyl-9-methylidenetricyclo[5.4.0.02,8]undecan-10-ol
CID 91748036
(1R)-5-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 156682460

Frequently Asked Questions

What is the IUPAC name of (1S,2R,7R,8R,9S)-8-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-11-one?
The IUPAC name of (1S,2R,7R,8R,9S)-8-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-11-one (CID 162623234) is (1S,2R,7R,8R,9S)-8-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-11-one.
What is the SMILES notation for (1S,2R,7R,8R,9S)-8-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-11-one?
The canonical SMILES for (1S,2R,7R,8R,9S)-8-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-11-one is CC1(C)CCC[C@]2(C)[C@H]3C(=O)C[C@]2(C)[C@H](O)[C@H]31.
What is the InChIKey of (1S,2R,7R,8R,9S)-8-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-11-one?
The InChIKey is AIIPDSQXWYWMJI-CWFCOSEVSA-N. The full InChI is InChI=1S/C15H24O2/c1-13(2)6-5-7-14(3)10-9(16)8-15(14,4)12(17)11(10)13/h10-12,17H,5-8H2,1-4H3/t10-,11-,12+,14+,15+/m0/s1.
What are the key properties of (1S,2R,7R,8R,9S)-8-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-11-one?
(1S,2R,7R,8R,9S)-8-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-11-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,2R,7R,8R,9S)-8-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-11-one is sourced from PubChem (CID 162623234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).