(1S,2S,3S,6R,7R,8R)-11-trimethylsilyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol

C14H22O2Si — CID 134969067

IUPAC(1S,2S,3S,6R,7R,8R)-11-trimethylsilyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol
SMILESC[Si](C)(C)C1[C@H]2C=C[C@@H]1[C@H]1[C@@H]2[C@@H](O)C=C[C@H]1O
InChIInChI=1S/C14H22O2Si/c1-17(2,3)14-8-4-5-9(14)13-11(16)7-6-10(15)12(8)13/h4-16H,1-3H3/t8-,9+,10-,11+,12-,13+,14?
InChIKeyFTKHQKBNAHQHDH-KOLJQJQNSA-N
MW250.41 g/mol
LogP2.03
Rot. Bonds1

About (1S,2S,3S,6R,7R,8R)-11-trimethylsilyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol

(1S,2S,3S,6R,7R,8R)-11-trimethylsilyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol (PubChem CID 134969067) has the molecular formula C14H22O2Si and a molecular weight of 250.41 g/mol. Its IUPAC name is (1S,2S,3S,6R,7R,8R)-11-trimethylsilyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol.

Molecular Properties

Compound Name(1S,2S,3S,6R,7R,8R)-11-trimethylsilyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol
PubChem CID134969067
Molecular FormulaC14H22O2Si
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name(1S,2S,3S,6R,7R,8R)-11-trimethylsilyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol
SMILESC[Si](C)(C)C1[C@H]2C=C[C@@H]1[C@H]1[C@@H]2[C@@H](O)C=C[C@H]1O
InChIInChI=1S/C14H22O2Si/c1-17(2,3)14-8-4-5-9(14)13-11(16)7-6-10(15)12(8)13/h4-16H,1-3H3/t8-,9+,10-,11+,12-,13+,14?
InChIKeyFTKHQKBNAHQHDH-KOLJQJQNSA-N
XLogP2.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

US20230312476, Example 8
CID 169429086
(1S,2R,3S,6R,7S,8R)-tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol
CID 11095196
Tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol
CID 12657571
tert-butyl-[[(1R,2S,3R,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxy-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]-dimethylsilane
CID 10894797
tert-butyl-[[(1R,3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]-dimethylsilane
CID 100920342
[(1R,2R,3R,6S,7S,8S)-6-hydroxy-11-trimethylsilyl-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate
CID 134955893
(3S,6R)-tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol
CID 12657570
1-[3-(1-Hydroxyethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol
CID 21414185
1-[3-(Hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]butan-1-ol
CID 21414186
Tricyclo[6.2.1.02,7]undeca-5,9-dien-4-ol
CID 59471195
Tricyclo[6.2.1.02,7]undeca-4,9-dien-3-ol
CID 59471200
1-[3-(1-Hydroxypropyl)-2-bicyclo[2.2.1]hept-5-enyl]propan-1-ol
CID 68120503

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,6R,7R,8R)-11-trimethylsilyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol?
The IUPAC name of (1S,2S,3S,6R,7R,8R)-11-trimethylsilyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol (CID 134969067) is (1S,2S,3S,6R,7R,8R)-11-trimethylsilyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol.
What is the SMILES notation for (1S,2S,3S,6R,7R,8R)-11-trimethylsilyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol?
The canonical SMILES for (1S,2S,3S,6R,7R,8R)-11-trimethylsilyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol is C[Si](C)(C)C1[C@H]2C=C[C@@H]1[C@H]1[C@@H]2[C@@H](O)C=C[C@H]1O.
What is the InChIKey of (1S,2S,3S,6R,7R,8R)-11-trimethylsilyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol?
The InChIKey is FTKHQKBNAHQHDH-KOLJQJQNSA-N. The full InChI is InChI=1S/C14H22O2Si/c1-17(2,3)14-8-4-5-9(14)13-11(16)7-6-10(15)12(8)13/h4-16H,1-3H3/t8-,9+,10-,11+,12-,13+,14?.
What are the key properties of (1S,2S,3S,6R,7R,8R)-11-trimethylsilyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol?
(1S,2S,3S,6R,7R,8R)-11-trimethylsilyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol has a molecular weight of 250.41 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,6R,7R,8R)-11-trimethylsilyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol is sourced from PubChem (CID 134969067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).