(1R,2S,6R,7S)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one

C13H20OSi — CID 59016862

IUPAC(1R,2S,6R,7S)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESC[Si](C)(C)C1C[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C13H20OSi/c1-15(2,3)11-7-10-8-4-5-9(6-8)12(10)13(11)14/h4-5,8-12H,6-7H2,1-3H3/t8-,9+,10-,11?,12+/m1/s1
InChIKeyFELLVJIKYBVTTB-NVFWCSOASA-N
MW220.39 g/mol
LogP3.11
Rot. Bonds1

About (1R,2S,6R,7S)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one

(1R,2S,6R,7S)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one (PubChem CID 59016862) has the molecular formula C13H20OSi and a molecular weight of 220.39 g/mol. Its IUPAC name is (1R,2S,6R,7S)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one.

Molecular Properties

Compound Name(1R,2S,6R,7S)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one
PubChem CID59016862
Molecular FormulaC13H20OSi
Molecular Weight220.39 g/mol
Exact Mass220.13
IUPAC Name(1R,2S,6R,7S)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESC[Si](C)(C)C1C[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C13H20OSi/c1-15(2,3)11-7-10-8-4-5-9(6-8)12(10)13(11)14/h4-5,8-12H,6-7H2,1-3H3/t8-,9+,10-,11?,12+/m1/s1
InChIKeyFELLVJIKYBVTTB-NVFWCSOASA-N
XLogP3.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.39
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7S)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one?
The IUPAC name of (1R,2S,6R,7S)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one (CID 59016862) is (1R,2S,6R,7S)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one.
What is the SMILES notation for (1R,2S,6R,7S)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one?
The canonical SMILES for (1R,2S,6R,7S)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one is C[Si](C)(C)C1C[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@H]2C1.
What is the InChIKey of (1R,2S,6R,7S)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one?
The InChIKey is FELLVJIKYBVTTB-NVFWCSOASA-N. The full InChI is InChI=1S/C13H20OSi/c1-15(2,3)11-7-10-8-4-5-9(6-8)12(10)13(11)14/h4-5,8-12H,6-7H2,1-3H3/t8-,9+,10-,11?,12+/m1/s1.
What are the key properties of (1R,2S,6R,7S)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one?
(1R,2S,6R,7S)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one has a molecular weight of 220.39 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one is sourced from PubChem (CID 59016862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).