4-trimethylsilyltricyclo[5.2.1.02,6]dec-4-en-3-one

C13H20OSi — CID 72789804

IUPAC4-trimethylsilyltricyclo[5.2.1.02,6]dec-4-en-3-one
SMILESC[Si](C)(C)C1=CC2C3CCC(C3)C2C1=O
InChIInChI=1S/C13H20OSi/c1-15(2,3)11-7-10-8-4-5-9(6-8)12(10)13(11)14/h7-10,12H,4-6H2,1-3H3
InChIKeyHDIXEHTYXAHQDD-UHFFFAOYSA-N
MW220.39 g/mol
LogP3.04
Rot. Bonds1

About 4-trimethylsilyltricyclo[5.2.1.02,6]dec-4-en-3-one

4-trimethylsilyltricyclo[5.2.1.02,6]dec-4-en-3-one (PubChem CID 72789804) has the molecular formula C13H20OSi and a molecular weight of 220.39 g/mol. Its IUPAC name is 4-trimethylsilyltricyclo[5.2.1.02,6]dec-4-en-3-one.

Molecular Properties

Compound Name4-trimethylsilyltricyclo[5.2.1.02,6]dec-4-en-3-one
PubChem CID72789804
Molecular FormulaC13H20OSi
Molecular Weight220.39 g/mol
Exact Mass220.13
IUPAC Name4-trimethylsilyltricyclo[5.2.1.02,6]dec-4-en-3-one
SMILESC[Si](C)(C)C1=CC2C3CCC(C3)C2C1=O
InChIInChI=1S/C13H20OSi/c1-15(2,3)11-7-10-8-4-5-9(6-8)12(10)13(11)14/h7-10,12H,4-6H2,1-3H3
InChIKeyHDIXEHTYXAHQDD-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-hexyltricyclo[5.2.1.02,6]dec-4-en-3-one
CID 14247877
(1S,2R,6R,7R)-4-pentyltricyclo[5.2.1.02,6]dec-4-en-3-one
CID 11790668
(1R,2S,6S,7S)-4-(cyclohexen-1-yl)tricyclo[5.2.1.02,6]dec-4-en-3-one
CID 11253181
(2R,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-1(9),4-dien-3-one
CID 101166326
(2S,6S,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-1(9),4-dien-3-one
CID 101166327
(1R,2R,4S,5S,8R,9R,11R,12R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadecane-3,10-dione
CID 98477807
(4R)-3-[(1S,2S,6S,7R)-5-oxo-4-tricyclo[5.2.1.02,6]dec-3-enyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101266925
(1S,2R,6R,7S)-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98048036
(1S,2S,6S,7S)-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98048070
(1R,5R,7R)-7-methylbicyclo[3.2.0]heptan-2-one
CID 129321356
bis(4-oxatricyclo[5.2.1.02,6]decane-3,5-dione);trimethyl(trimethylsilyloxy)silane
CID 159492818
(1R,2S,7R,8S,11R,12S,17R,18S)-heptacyclo[16.2.1.18,11.02,17.03,15.06,14.07,12]docosa-3(15),4,6(14)-triene-13,16-dione
CID 11012594

Frequently Asked Questions

What is the IUPAC name of 4-trimethylsilyltricyclo[5.2.1.02,6]dec-4-en-3-one?
The IUPAC name of 4-trimethylsilyltricyclo[5.2.1.02,6]dec-4-en-3-one (CID 72789804) is 4-trimethylsilyltricyclo[5.2.1.02,6]dec-4-en-3-one.
What is the SMILES notation for 4-trimethylsilyltricyclo[5.2.1.02,6]dec-4-en-3-one?
The canonical SMILES for 4-trimethylsilyltricyclo[5.2.1.02,6]dec-4-en-3-one is C[Si](C)(C)C1=CC2C3CCC(C3)C2C1=O.
What is the InChIKey of 4-trimethylsilyltricyclo[5.2.1.02,6]dec-4-en-3-one?
The InChIKey is HDIXEHTYXAHQDD-UHFFFAOYSA-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/h7-10,12H,4-6H2,1-3H3.
What are the key properties of 4-trimethylsilyltricyclo[5.2.1.02,6]dec-4-en-3-one?
4-trimethylsilyltricyclo[5.2.1.02,6]dec-4-en-3-one has a molecular weight of 220.39 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilyltricyclo[5.2.1.02,6]dec-4-en-3-one is sourced from PubChem (CID 72789804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).