(2R,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-1(9),4-dien-3-one

C13H18OSi — CID 101166326

IUPAC(2R,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-1(9),4-dien-3-one
SMILESC[Si](C)(C)C1=C[C@@H]2[C@@H]3CC=C(C3)[C@@H]2C1=O
InChIInChI=1S/C13H18OSi/c1-15(2,3)11-7-10-8-4-5-9(6-8)12(10)13(11)14/h5,7-8,10,12H,4,6H2,1-3H3/t8-,10-,12+/m1/s1
InChIKeyXNEIEIBYKALKMP-UISBYWKRSA-N
MW218.37 g/mol
LogP2.96
Rot. Bonds1

About (2R,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-1(9),4-dien-3-one

(2R,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-1(9),4-dien-3-one (PubChem CID 101166326) has the molecular formula C13H18OSi and a molecular weight of 218.37 g/mol. Its IUPAC name is (2R,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-1(9),4-dien-3-one.

Molecular Properties

Compound Name(2R,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-1(9),4-dien-3-one
PubChem CID101166326
Molecular FormulaC13H18OSi
Molecular Weight218.37 g/mol
Exact Mass218.11
IUPAC Name(2R,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-1(9),4-dien-3-one
SMILESC[Si](C)(C)C1=C[C@@H]2[C@@H]3CC=C(C3)[C@@H]2C1=O
InChIInChI=1S/C13H18OSi/c1-15(2,3)11-7-10-8-4-5-9(6-8)12(10)13(11)14/h5,7-8,10,12H,4,6H2,1-3H3/t8-,10-,12+/m1/s1
InChIKeyXNEIEIBYKALKMP-UISBYWKRSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.96
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'}

Analyze (2R,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-1(9),4-dien-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,6S,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-1(9),4-dien-3-one
CID 101166327
4-trimethylsilyltricyclo[5.2.1.02,6]dec-4-en-3-one
CID 72789804
(3aS,7aS)-5-trimethylsilyl-7,7a-dihydro-3aH-2-benzofuran-1,3,4-trione
CID 134924123
(3aS,6aR)-2-trimethylsilyl-4,6a-dihydro-3aH-pentalen-1-one
CID 11629751
(4E)-5-cyclopropyl-4-(cyclopropylmethylidene)-2-trimethylsilylcyclopent-2-en-1-one
CID 102574922
azane;5-ethylbicyclo[2.1.1]hex-1-ene
CID 174366157
tricyclo[3.2.1.03,8]oct-1(7)-ene
CID 123400934
5-cyclopent-2-en-1-yloxy-4-oxatricyclo[5.2.1.02,6]dec-1(9)-en-3-one
CID 70564349
dimethyl-bis(5-trimethylsilylcyclopenta-1,4-dien-1-yl)silane
CID 15793410
tetracyclo[5.4.0.02,10.03,5]undec-7-ene
CID 147386331
5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-4-oxatricyclo[5.2.1.02,6]dec-1(9)-en-3-one
CID 70609815
5-[(1S)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl]oxy-4-oxatricyclo[5.2.1.02,6]dec-1(9)-en-3-one
CID 22815816

Frequently Asked Questions

What is the IUPAC name of (2R,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-1(9),4-dien-3-one?
The IUPAC name of (2R,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-1(9),4-dien-3-one (CID 101166326) is (2R,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-1(9),4-dien-3-one.
What is the SMILES notation for (2R,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-1(9),4-dien-3-one?
The canonical SMILES for (2R,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-1(9),4-dien-3-one is C[Si](C)(C)C1=C[C@@H]2[C@@H]3CC=C(C3)[C@@H]2C1=O.
What is the InChIKey of (2R,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-1(9),4-dien-3-one?
The InChIKey is XNEIEIBYKALKMP-UISBYWKRSA-N. The full InChI is InChI=1S/C13H18OSi/c1-15(2,3)11-7-10-8-4-5-9(6-8)12(10)13(11)14/h5,7-8,10,12H,4,6H2,1-3H3/t8-,10-,12+/m1/s1.
What are the key properties of (2R,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-1(9),4-dien-3-one?
(2R,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-1(9),4-dien-3-one has a molecular weight of 218.37 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-1(9),4-dien-3-one is sourced from PubChem (CID 101166326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).