tert-butyl-(2-dimethoxyphosphoryl-2-phenylethoxy)-dimethylsilane

C16H29O4PSi — CID 15108856

IUPACtert-butyl-(2-dimethoxyphosphoryl-2-phenylethoxy)-dimethylsilane
SMILESCOP(=O)(OC)C(CO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H29O4PSi/c1-16(2,3)22(6,7)20-13-15(21(17,18-4)19-5)14-11-9-8-10-12-14/h8-12,15H,13H2,1-7H3
InChIKeyHIRNEQMMKYLMAO-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.24
Rot. Bonds7

About tert-butyl-(2-dimethoxyphosphoryl-2-phenylethoxy)-dimethylsilane

tert-butyl-(2-dimethoxyphosphoryl-2-phenylethoxy)-dimethylsilane (PubChem CID 15108856) has the molecular formula C16H29O4PSi and a molecular weight of 344.46 g/mol. Its IUPAC name is tert-butyl-(2-dimethoxyphosphoryl-2-phenylethoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(2-dimethoxyphosphoryl-2-phenylethoxy)-dimethylsilane
PubChem CID15108856
Molecular FormulaC16H29O4PSi
Molecular Weight344.46 g/mol
Exact Mass344.16
IUPAC Nametert-butyl-(2-dimethoxyphosphoryl-2-phenylethoxy)-dimethylsilane
SMILESCOP(=O)(OC)C(CO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H29O4PSi/c1-16(2,3)22(6,7)20-13-15(21(17,18-4)19-5)14-11-9-8-10-12-14/h8-12,15H,13H2,1-7H3
InChIKeyHIRNEQMMKYLMAO-UHFFFAOYSA-N
XLogP5.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-(3-dimethoxyphosphoryl-3-phenylpropoxy)-dimethylsilane
CID 15108858
2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
CID 11459395
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-phenylbutanoate
CID 99772457
methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-phenylbutanoate
CID 99772458
tert-butyl-[(2R)-2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-2-phenylethoxy]-dimethylsilane
CID 153432727
[(1R)-1-dimethoxyphosphoryl-2-nitroethyl]benzene
CID 102025909
[(1S)-1-dimethoxyphosphoryl-2-nitroethyl]benzene
CID 102025910
[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl] benzoate
CID 100980037
benzhydryl (2S)-2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 153349520
(2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 129403826
tert-butyl-(2-isothiocyanato-2-phenylethoxy)-dimethylsilane
CID 85240498
N-tert-butyl-N-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethoxy]-1-diethoxyphosphoryl-2,2-dimethylpropan-1-amine
CID 102236370

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2-dimethoxyphosphoryl-2-phenylethoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(2-dimethoxyphosphoryl-2-phenylethoxy)-dimethylsilane (CID 15108856) is tert-butyl-(2-dimethoxyphosphoryl-2-phenylethoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(2-dimethoxyphosphoryl-2-phenylethoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(2-dimethoxyphosphoryl-2-phenylethoxy)-dimethylsilane is COP(=O)(OC)C(CO[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl-(2-dimethoxyphosphoryl-2-phenylethoxy)-dimethylsilane?
The InChIKey is HIRNEQMMKYLMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29O4PSi/c1-16(2,3)22(6,7)20-13-15(21(17,18-4)19-5)14-11-9-8-10-12-14/h8-12,15H,13H2,1-7H3.
What are the key properties of tert-butyl-(2-dimethoxyphosphoryl-2-phenylethoxy)-dimethylsilane?
tert-butyl-(2-dimethoxyphosphoryl-2-phenylethoxy)-dimethylsilane has a molecular weight of 344.46 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-dimethoxyphosphoryl-2-phenylethoxy)-dimethylsilane is sourced from PubChem (CID 15108856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).