2-methylidene-4-trimethylsilyltricyclo[6.3.0.01,5]undec-4-en-3-one

C15H22OSi — CID 10800465

IUPAC2-methylidene-4-trimethylsilyltricyclo[6.3.0.01,5]undec-4-en-3-one
SMILESC=C1C(=O)C([Si](C)(C)C)=C2CCC3CCCC123
InChIInChI=1S/C15H22OSi/c1-10-13(16)14(17(2,3)4)12-8-7-11-6-5-9-15(10,11)12/h11H,1,5-9H2,2-4H3
InChIKeyAGNARAYAMHUTJC-UHFFFAOYSA-N
MW246.43 g/mol
LogP3.88
Rot. Bonds1

About 2-methylidene-4-trimethylsilyltricyclo[6.3.0.01,5]undec-4-en-3-one

2-methylidene-4-trimethylsilyltricyclo[6.3.0.01,5]undec-4-en-3-one (PubChem CID 10800465) has the molecular formula C15H22OSi and a molecular weight of 246.43 g/mol. Its IUPAC name is 2-methylidene-4-trimethylsilyltricyclo[6.3.0.01,5]undec-4-en-3-one.

Molecular Properties

Compound Name2-methylidene-4-trimethylsilyltricyclo[6.3.0.01,5]undec-4-en-3-one
PubChem CID10800465
Molecular FormulaC15H22OSi
Molecular Weight246.43 g/mol
Exact Mass246.14
IUPAC Name2-methylidene-4-trimethylsilyltricyclo[6.3.0.01,5]undec-4-en-3-one
SMILESC=C1C(=O)C([Si](C)(C)C)=C2CCC3CCCC123
InChIInChI=1S/C15H22OSi/c1-10-13(16)14(17(2,3)4)12-8-7-11-6-5-9-15(10,11)12/h11H,1,5-9H2,2-4H3
InChIKeyAGNARAYAMHUTJC-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.43
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-trimethylsilyltricyclo[6.3.0.01,5]undec-4-en-3-one?
The IUPAC name of 2-methylidene-4-trimethylsilyltricyclo[6.3.0.01,5]undec-4-en-3-one (CID 10800465) is 2-methylidene-4-trimethylsilyltricyclo[6.3.0.01,5]undec-4-en-3-one.
What is the SMILES notation for 2-methylidene-4-trimethylsilyltricyclo[6.3.0.01,5]undec-4-en-3-one?
The canonical SMILES for 2-methylidene-4-trimethylsilyltricyclo[6.3.0.01,5]undec-4-en-3-one is C=C1C(=O)C([Si](C)(C)C)=C2CCC3CCCC123.
What is the InChIKey of 2-methylidene-4-trimethylsilyltricyclo[6.3.0.01,5]undec-4-en-3-one?
The InChIKey is AGNARAYAMHUTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OSi/c1-10-13(16)14(17(2,3)4)12-8-7-11-6-5-9-15(10,11)12/h11H,1,5-9H2,2-4H3.
What are the key properties of 2-methylidene-4-trimethylsilyltricyclo[6.3.0.01,5]undec-4-en-3-one?
2-methylidene-4-trimethylsilyltricyclo[6.3.0.01,5]undec-4-en-3-one has a molecular weight of 246.43 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-trimethylsilyltricyclo[6.3.0.01,5]undec-4-en-3-one is sourced from PubChem (CID 10800465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).