(E)-2-methyl-3-phenyl-1-trimethylsilylprop-2-en-1-one

C13H18OSi — CID 6394466

IUPAC(E)-2-methyl-3-phenyl-1-trimethylsilylprop-2-en-1-one
SMILESC/C(=C\c1ccccc1)C(=O)[Si](C)(C)C
InChIInChI=1S/C13H18OSi/c1-11(13(14)15(2,3)4)10-12-8-6-5-7-9-12/h5-10H,1-4H3/b11-10+
InChIKeyIXUPQPWEKHADLA-ZHACJKMWSA-N
MW218.37 g/mol
LogP3.54
Rot. Bonds3

About (E)-2-methyl-3-phenyl-1-trimethylsilylprop-2-en-1-one

(E)-2-methyl-3-phenyl-1-trimethylsilylprop-2-en-1-one (PubChem CID 6394466) has the molecular formula C13H18OSi and a molecular weight of 218.37 g/mol. Its IUPAC name is (E)-2-methyl-3-phenyl-1-trimethylsilylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-2-methyl-3-phenyl-1-trimethylsilylprop-2-en-1-one
PubChem CID6394466
Molecular FormulaC13H18OSi
Molecular Weight218.37 g/mol
Exact Mass218.11
IUPAC Name(E)-2-methyl-3-phenyl-1-trimethylsilylprop-2-en-1-one
SMILESC/C(=C\c1ccccc1)C(=O)[Si](C)(C)C
InChIInChI=1S/C13H18OSi/c1-11(13(14)15(2,3)4)10-12-8-6-5-7-9-12/h5-10H,1-4H3/b11-10+
InChIKeyIXUPQPWEKHADLA-ZHACJKMWSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 53.54
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 (E)-2-methyl-3-phenyl-1-trimethylsilylprop-2-en-1-one?
The IUPAC name of (E)-2-methyl-3-phenyl-1-trimethylsilylprop-2-en-1-one (CID 6394466) is (E)-2-methyl-3-phenyl-1-trimethylsilylprop-2-en-1-one.
What is the SMILES notation for (E)-2-methyl-3-phenyl-1-trimethylsilylprop-2-en-1-one?
The canonical SMILES for (E)-2-methyl-3-phenyl-1-trimethylsilylprop-2-en-1-one is C/C(=C\c1ccccc1)C(=O)[Si](C)(C)C.
What is the InChIKey of (E)-2-methyl-3-phenyl-1-trimethylsilylprop-2-en-1-one?
The InChIKey is IXUPQPWEKHADLA-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H18OSi/c1-11(13(14)15(2,3)4)10-12-8-6-5-7-9-12/h5-10H,1-4H3/b11-10+.
What are the key properties of (E)-2-methyl-3-phenyl-1-trimethylsilylprop-2-en-1-one?
(E)-2-methyl-3-phenyl-1-trimethylsilylprop-2-en-1-one has a molecular weight of 218.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-phenyl-1-trimethylsilylprop-2-en-1-one is sourced from PubChem (CID 6394466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).