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

C13H20OSi — CID 71147670

IUPAC(1S,2S,6R,7R)-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-/m0/s1
InChIKeyFELLVJIKYBVTTB-BVLDYNLHSA-N
MW220.39 g/mol
LogP3.11
Rot. Bonds1

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

(1S,2S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one (PubChem CID 71147670) has the molecular formula C13H20OSi and a molecular weight of 220.39 g/mol. Its IUPAC name is (1S,2S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one.

Molecular Properties

Compound Name(1S,2S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one
PubChem CID71147670
Molecular FormulaC13H20OSi
Molecular Weight220.39 g/mol
Exact Mass220.13
IUPAC Name(1S,2S,6R,7R)-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-/m0/s1
InChIKeyFELLVJIKYBVTTB-BVLDYNLHSA-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 (1S,2S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one?
The IUPAC name of (1S,2S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one (CID 71147670) is (1S,2S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one.
What is the SMILES notation for (1S,2S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one?
The canonical SMILES for (1S,2S,6R,7R)-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 (1S,2S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one?
The InChIKey is FELLVJIKYBVTTB-BVLDYNLHSA-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-/m0/s1.
What are the key properties of (1S,2S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one?
(1S,2S,6R,7R)-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 (1S,2S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one is sourced from PubChem (CID 71147670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).