(1S,2R,5R,7R,9S)-5-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-en-8-one

C15H22O2 — CID 162623229

IUPAC(1S,2R,5R,7R,9S)-5-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-en-8-one
SMILESCC1(C)[C@H](O)C=C[C@]2(C)[C@H]3CC[C@]2(C)C(=O)[C@H]31
InChIInChI=1S/C15H22O2/c1-13(2)10(16)6-8-14(3)9-5-7-15(14,4)12(17)11(9)13/h6,8-11,16H,5,7H2,1-4H3/t9-,10+,11-,14+,15+/m0/s1
InChIKeyWJGVPVROMFMZMC-GLRJYAJPSA-N
MW234.34 g/mol
LogP2.56
Rot. Bonds

About (1S,2R,5R,7R,9S)-5-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-en-8-one

(1S,2R,5R,7R,9S)-5-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-en-8-one (PubChem CID 162623229) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1S,2R,5R,7R,9S)-5-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-en-8-one.

Molecular Properties

Compound Name(1S,2R,5R,7R,9S)-5-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-en-8-one
PubChem CID162623229
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1S,2R,5R,7R,9S)-5-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-en-8-one
SMILESCC1(C)[C@H](O)C=C[C@]2(C)[C@H]3CC[C@]2(C)C(=O)[C@H]31
InChIInChI=1S/C15H22O2/c1-13(2)10(16)6-8-14(3)9-5-7-15(14,4)12(17)11(9)13/h6,8-11,16H,5,7H2,1-4H3/t9-,10+,11-,14+,15+/m0/s1
InChIKeyWJGVPVROMFMZMC-GLRJYAJPSA-N
XLogP2.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,2R,5R,7R,9S)-5-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-en-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,3R,9S,10S,11R,14R)-9-hydroxy-5,5,10,15-tetramethyltetracyclo[12.2.1.01,11.03,10]heptadec-15-en-4-one
CID 155539353
(7R)-1,4-epi-7-hydroxyacoren-10-one
CID 132500220
(1S,2S,5S,6S,7R,10R)-2-(hydroxymethyl)-10-methyl-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]tricyclo[5.2.1.02,6]dec-3-en-8-one
CID 162800645
(2R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one
CID 134944275
(5S)-8-[(1R)-1-hydroxyprop-2-enyl]-5-methyl-2-prop-1-en-2-ylbicyclo[3.2.1]octan-6-one
CID 134968808
(1R,2S,3R,7S,8R,9R,10R,14R)-7-hydroxy-3-methyltetracyclo[7.5.1.02,8.010,14]pentadeca-5,12-dien-4-one
CID 134974040
(1S,4S,5R)-4-(1-hydroxyethyl)-2,2-dimethylbicyclo[3.2.1]oct-6-en-3-one
CID 11790088
(1S,2S,5R,6S,7R)-2-(hydroxymethyl)-10-methyl-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]tricyclo[5.2.1.02,6]dec-3-en-8-one
CID 21635652
(E)-2-(3-cyclohexyl-3-hydroxyprop-1-enyl)bicyclo[3,3,0]octan-6-one
CID 13241017
3,3-bis[(E)-1-hydroxybut-2-enyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 20591422
3,3-bis[(E)-1-hydroxybut-2-enyl]bicyclo[2.2.1]heptan-2-one
CID 20591423
4-(3-cyclohexyl-3-hydroxyprop-1-enyl)-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
CID 54511470

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R,7R,9S)-5-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-en-8-one?
The IUPAC name of (1S,2R,5R,7R,9S)-5-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-en-8-one (CID 162623229) is (1S,2R,5R,7R,9S)-5-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-en-8-one.
What is the SMILES notation for (1S,2R,5R,7R,9S)-5-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-en-8-one?
The canonical SMILES for (1S,2R,5R,7R,9S)-5-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-en-8-one is CC1(C)[C@H](O)C=C[C@]2(C)[C@H]3CC[C@]2(C)C(=O)[C@H]31.
What is the InChIKey of (1S,2R,5R,7R,9S)-5-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-en-8-one?
The InChIKey is WJGVPVROMFMZMC-GLRJYAJPSA-N. The full InChI is InChI=1S/C15H22O2/c1-13(2)10(16)6-8-14(3)9-5-7-15(14,4)12(17)11(9)13/h6,8-11,16H,5,7H2,1-4H3/t9-,10+,11-,14+,15+/m0/s1.
What are the key properties of (1S,2R,5R,7R,9S)-5-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-en-8-one?
(1S,2R,5R,7R,9S)-5-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-en-8-one has a molecular weight of 234.34 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R,7R,9S)-5-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-en-8-one is sourced from PubChem (CID 162623229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).