[(1R,2R,3R,6S,7S,8S)-6-hydroxy-11-trimethylsilyl-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate

C16H24O3Si — CID 134955893

IUPAC[(1R,2R,3R,6S,7S,8S)-6-hydroxy-11-trimethylsilyl-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate
SMILESCC(=O)O[C@@H]1C=C[C@H](O)[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1[Si](C)(C)C
InChIInChI=1S/C16H24O3Si/c1-9(17)19-13-8-7-12(18)14-10-5-6-11(15(13)14)16(10)20(2,3)4/h5-8,10-16,18H,1-4H3/t10-,11+,12-,13+,14-,15+,16?/m0/s1
InChIKeyHQVYZPNFOOPHAG-CUSGQVQISA-N
MW292.45 g/mol
LogP2.61
Rot. Bonds2

About [(1R,2R,3R,6S,7S,8S)-6-hydroxy-11-trimethylsilyl-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate

[(1R,2R,3R,6S,7S,8S)-6-hydroxy-11-trimethylsilyl-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate (PubChem CID 134955893) has the molecular formula C16H24O3Si and a molecular weight of 292.45 g/mol. Its IUPAC name is [(1R,2R,3R,6S,7S,8S)-6-hydroxy-11-trimethylsilyl-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate.

Molecular Properties

Compound Name[(1R,2R,3R,6S,7S,8S)-6-hydroxy-11-trimethylsilyl-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate
PubChem CID134955893
Molecular FormulaC16H24O3Si
Molecular Weight292.45 g/mol
Exact Mass292.15
IUPAC Name[(1R,2R,3R,6S,7S,8S)-6-hydroxy-11-trimethylsilyl-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate
SMILESCC(=O)O[C@@H]1C=C[C@H](O)[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1[Si](C)(C)C
InChIInChI=1S/C16H24O3Si/c1-9(17)19-13-8-7-12(18)14-10-5-6-11(15(13)14)16(10)20(2,3)4/h5-8,10-16,18H,1-4H3/t10-,11+,12-,13+,14-,15+,16?/m0/s1
InChIKeyHQVYZPNFOOPHAG-CUSGQVQISA-N
XLogP2.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1R,2R,3R,6S,7S,8S)-6-hydroxy-11-trimethylsilyl-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate with MolForge

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Related Compounds

[(3R,6S)-6-hydroxy-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate
CID 135214442
[(1S,2R,3S,6R,7S,8R)-6-hydroxy-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] 2,2-dimethylpropanoate
CID 382828
(1S,2S,3S,6R,7R,8R)-11-trimethylsilyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol
CID 134969067
(6-Hydroxy-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl) 2,2-dimethylpropanoate
CID 495854
[(1R,2S,3R,6S,7R,8S)-6-hydroxy-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate
CID 11031375
[(1R,2R,3S,6R,7S,8S)-6-acetyloxy-11-methyl-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate
CID 118638123
[(1S,2S,3R,6S,7R,8R)-6-hydroxy-11-methyl-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate
CID 129289038
[(2S,3R,6S,7R,8S)-6-hydroxy-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate
CID 135214441
[(2bR,3S,6R)-3-hydroxy-7-methyl-2b,3,6,6a,7,7a-hexahydro-2aH-cyclobuta[a]inden-6-yl] acetate
CID 144083226
[(1R,2S,3R,6S,7R,8S)-6-hydroxy-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate;(1R,2S,3R,6S,7R,8S)-tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol
CID 159059160
[(1R,2R,3S,6R,7S,8S)-6-acetyloxy-11-methyl-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate;methane;(1R,2R,3S,6R,7S,8S)-11-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol
CID 161423709
[(1R,2S,3R,6S,7R,8S)-6-hydroxy-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] 2,2-dimethylpropanoate
CID 10730195

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R,6S,7S,8S)-6-hydroxy-11-trimethylsilyl-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate?
The IUPAC name of [(1R,2R,3R,6S,7S,8S)-6-hydroxy-11-trimethylsilyl-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate (CID 134955893) is [(1R,2R,3R,6S,7S,8S)-6-hydroxy-11-trimethylsilyl-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate.
What is the SMILES notation for [(1R,2R,3R,6S,7S,8S)-6-hydroxy-11-trimethylsilyl-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate?
The canonical SMILES for [(1R,2R,3R,6S,7S,8S)-6-hydroxy-11-trimethylsilyl-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate is CC(=O)O[C@@H]1C=C[C@H](O)[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1[Si](C)(C)C.
What is the InChIKey of [(1R,2R,3R,6S,7S,8S)-6-hydroxy-11-trimethylsilyl-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate?
The InChIKey is HQVYZPNFOOPHAG-CUSGQVQISA-N. The full InChI is InChI=1S/C16H24O3Si/c1-9(17)19-13-8-7-12(18)14-10-5-6-11(15(13)14)16(10)20(2,3)4/h5-8,10-16,18H,1-4H3/t10-,11+,12-,13+,14-,15+,16?/m0/s1.
What are the key properties of [(1R,2R,3R,6S,7S,8S)-6-hydroxy-11-trimethylsilyl-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate?
[(1R,2R,3R,6S,7S,8S)-6-hydroxy-11-trimethylsilyl-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate has a molecular weight of 292.45 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R,6S,7S,8S)-6-hydroxy-11-trimethylsilyl-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate is sourced from PubChem (CID 134955893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).