[(E)-3-deuterio-3-phenylprop-1-enoxy]-dimethyl-phenylsilane

C17H20OSi — CID 56933541

IUPAC[(E)-3-deuterio-3-phenylprop-1-enoxy]-dimethyl-phenylsilane
SMILES[2H]C(/C=C/O[Si](C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20OSi/c1-19(2,17-13-7-4-8-14-17)18-15-9-12-16-10-5-3-6-11-16/h3-11,13-15H,12H2,1-2H3/b15-9+/i12D
InChIKeyKMGHJNDBFFCHFD-GVGUDFPWSA-N
MW269.44 g/mol
LogP3.87
Rot. Bonds5

About [(E)-3-deuterio-3-phenylprop-1-enoxy]-dimethyl-phenylsilane

[(E)-3-deuterio-3-phenylprop-1-enoxy]-dimethyl-phenylsilane (PubChem CID 56933541) has the molecular formula C17H20OSi and a molecular weight of 269.44 g/mol. Its IUPAC name is [(E)-3-deuterio-3-phenylprop-1-enoxy]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[(E)-3-deuterio-3-phenylprop-1-enoxy]-dimethyl-phenylsilane
PubChem CID56933541
Molecular FormulaC17H20OSi
Molecular Weight269.44 g/mol
Exact Mass269.13
IUPAC Name[(E)-3-deuterio-3-phenylprop-1-enoxy]-dimethyl-phenylsilane
SMILES[2H]C(/C=C/O[Si](C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20OSi/c1-19(2,17-13-7-4-8-14-17)18-15-9-12-16-10-5-3-6-11-16/h3-11,13-15H,12H2,1-2H3/b15-9+/i12D
InChIKeyKMGHJNDBFFCHFD-GVGUDFPWSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.44
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-deuterio-3-phenylprop-1-enoxy]-dimethyl-phenylsilane?
The IUPAC name of [(E)-3-deuterio-3-phenylprop-1-enoxy]-dimethyl-phenylsilane (CID 56933541) is [(E)-3-deuterio-3-phenylprop-1-enoxy]-dimethyl-phenylsilane.
What is the SMILES notation for [(E)-3-deuterio-3-phenylprop-1-enoxy]-dimethyl-phenylsilane?
The canonical SMILES for [(E)-3-deuterio-3-phenylprop-1-enoxy]-dimethyl-phenylsilane is [2H]C(/C=C/O[Si](C)(C)c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-3-deuterio-3-phenylprop-1-enoxy]-dimethyl-phenylsilane?
The InChIKey is KMGHJNDBFFCHFD-GVGUDFPWSA-N. The full InChI is InChI=1S/C17H20OSi/c1-19(2,17-13-7-4-8-14-17)18-15-9-12-16-10-5-3-6-11-16/h3-11,13-15H,12H2,1-2H3/b15-9+/i12D.
What are the key properties of [(E)-3-deuterio-3-phenylprop-1-enoxy]-dimethyl-phenylsilane?
[(E)-3-deuterio-3-phenylprop-1-enoxy]-dimethyl-phenylsilane has a molecular weight of 269.44 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-deuterio-3-phenylprop-1-enoxy]-dimethyl-phenylsilane is sourced from PubChem (CID 56933541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).