[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]-trimethylsilane

C16H27O3PSi — CID 10568157

IUPAC[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]-trimethylsilane
SMILESCCOP(=O)(OCC)C(/C=C/c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C16H27O3PSi/c1-6-18-20(17,19-7-2)16(21(3,4)5)14-13-15-11-9-8-10-12-15/h8-14,16H,6-7H2,1-5H3/b14-13+
InChIKeyYKKYNLJIYCOQJU-BUHFOSPRSA-N
MW326.45 g/mol
LogP5.21
Rot. Bonds8

About [(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]-trimethylsilane

[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]-trimethylsilane (PubChem CID 10568157) has the molecular formula C16H27O3PSi and a molecular weight of 326.45 g/mol. Its IUPAC name is [(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]-trimethylsilane
PubChem CID10568157
Molecular FormulaC16H27O3PSi
Molecular Weight326.45 g/mol
Exact Mass326.15
IUPAC Name[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]-trimethylsilane
SMILESCCOP(=O)(OCC)C(/C=C/c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C16H27O3PSi/c1-6-18-20(17,19-7-2)16(21(3,4)5)14-13-15-11-9-8-10-12-15/h8-14,16H,6-7H2,1-5H3/b14-13+
InChIKeyYKKYNLJIYCOQJU-BUHFOSPRSA-N
XLogP5.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.45
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-diethoxyphosphoryl-3-phenylprop-2-en-1-ol
CID 71366492
(E,1S)-1-diethoxyphosphoryl-3-phenylprop-2-en-1-ol
CID 12543687
ethyl (E,2R,3S)-2-diethoxyphosphoryl-3-methyl-5-phenylpent-4-enoate
CID 101469617
4-[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]morpholine
CID 11198557
(1-cyano-3-phenylprop-2-enyl) diethyl phosphate
CID 71420190
ethyl (E)-2-diethoxyphosphoryl-3-oxo-5-phenylpent-4-enoate
CID 10713093
ethyl (E,2S)-2-diethoxyphosphoryl-5-phenylpent-4-enoate
CID 129408619
methyl (E)-2-diethoxyphosphoryloxy-4-phenylbut-3-enoate
CID 177460867
bis(diethoxyphosphoryl)methylbenzene
CID 11132243
(E)-2-[benzyl-[diethoxyphosphoryl(phenyl)methyl]amino]-4-phenylbut-3-enoic acid
CID 46180209
[(E)-2-diethoxyphosphorylpent-3-enoyl] benzoate
CID 101252742
(E)-4-diethoxyphosphoryl-2-methyl-6-phenyl-4-trimethylsilylhex-5-en-3-ol
CID 10692272

Frequently Asked Questions

What is the IUPAC name of [(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]-trimethylsilane?
The IUPAC name of [(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]-trimethylsilane (CID 10568157) is [(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]-trimethylsilane.
What is the SMILES notation for [(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]-trimethylsilane?
The canonical SMILES for [(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]-trimethylsilane is CCOP(=O)(OCC)C(/C=C/c1ccccc1)[Si](C)(C)C.
What is the InChIKey of [(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]-trimethylsilane?
The InChIKey is YKKYNLJIYCOQJU-BUHFOSPRSA-N. The full InChI is InChI=1S/C16H27O3PSi/c1-6-18-20(17,19-7-2)16(21(3,4)5)14-13-15-11-9-8-10-12-15/h8-14,16H,6-7H2,1-5H3/b14-13+.
What are the key properties of [(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]-trimethylsilane?
[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]-trimethylsilane has a molecular weight of 326.45 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]-trimethylsilane is sourced from PubChem (CID 10568157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).