[(3R)-4-diphenylphosphoryl-2,3-dimethylbutan-2-yl]oxy-trimethylsilane

C21H31O2PSi — CID 45073674

IUPAC[(3R)-4-diphenylphosphoryl-2,3-dimethylbutan-2-yl]oxy-trimethylsilane
SMILESC[C@@H](CP(=O)(c1ccccc1)c1ccccc1)C(C)(C)O[Si](C)(C)C
InChIInChI=1S/C21H31O2PSi/c1-18(21(2,3)23-25(4,5)6)17-24(22,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18H,17H2,1-6H3/t18-/m0/s1
InChIKeyZGIMJAVSURKTDF-SFHVURJKSA-N
MW374.54 g/mol
LogP5.27
Rot. Bonds7

About [(3R)-4-diphenylphosphoryl-2,3-dimethylbutan-2-yl]oxy-trimethylsilane

[(3R)-4-diphenylphosphoryl-2,3-dimethylbutan-2-yl]oxy-trimethylsilane (PubChem CID 45073674) has the molecular formula C21H31O2PSi and a molecular weight of 374.54 g/mol. Its IUPAC name is [(3R)-4-diphenylphosphoryl-2,3-dimethylbutan-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3R)-4-diphenylphosphoryl-2,3-dimethylbutan-2-yl]oxy-trimethylsilane
PubChem CID45073674
Molecular FormulaC21H31O2PSi
Molecular Weight374.54 g/mol
Exact Mass374.18
IUPAC Name[(3R)-4-diphenylphosphoryl-2,3-dimethylbutan-2-yl]oxy-trimethylsilane
SMILESC[C@@H](CP(=O)(c1ccccc1)c1ccccc1)C(C)(C)O[Si](C)(C)C
InChIInChI=1S/C21H31O2PSi/c1-18(21(2,3)23-25(4,5)6)17-24(22,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18H,17H2,1-6H3/t18-/m0/s1
InChIKeyZGIMJAVSURKTDF-SFHVURJKSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.54
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-diphenylphosphoryl-1-phenylpropan-2-ol
CID 24813675
[(2S,3R)-1-diphenylphosphoryl-2-trimethylsilyloxyheptan-3-yl]oxy-trimethylsilane
CID 10695952
4-diphenylphosphoryl-3-methylbutan-2-one
CID 13202522
(2S,3S)-3-[dimethyl(phenyl)silyl]-4-diphenylphosphorylbutan-2-ol
CID 102599598
(2S,3R)-1-diphenylphosphoryl-3-phenylbutane-2,3-diol
CID 10522910
methoxymethane;[methyl(phenyl)phosphoryl]benzene
CID 90840778
trimethyl-[[methyl(phenyl)phosphoryl]methoxy]silane
CID 23420781
1-diphenylphosphoryl-3,3-dimethylbutan-2-one
CID 2752007
(3R)-4-bis(4-methylphenyl)phosphoryl-2,3-dimethylbutan-2-ol
CID 144528974
(2S,3S)-4-diphenylphosphoryl-3-phenylsulfanylbutan-2-ol
CID 10091303
2-diphenylphosphorylethyl-dimethoxy-methylsilane
CID 13356480
(2S)-1-[tert-butyl(phenyl)phosphoryl]propan-2-ol
CID 102355280

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-diphenylphosphoryl-2,3-dimethylbutan-2-yl]oxy-trimethylsilane?
The IUPAC name of [(3R)-4-diphenylphosphoryl-2,3-dimethylbutan-2-yl]oxy-trimethylsilane (CID 45073674) is [(3R)-4-diphenylphosphoryl-2,3-dimethylbutan-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3R)-4-diphenylphosphoryl-2,3-dimethylbutan-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(3R)-4-diphenylphosphoryl-2,3-dimethylbutan-2-yl]oxy-trimethylsilane is C[C@@H](CP(=O)(c1ccccc1)c1ccccc1)C(C)(C)O[Si](C)(C)C.
What is the InChIKey of [(3R)-4-diphenylphosphoryl-2,3-dimethylbutan-2-yl]oxy-trimethylsilane?
The InChIKey is ZGIMJAVSURKTDF-SFHVURJKSA-N. The full InChI is InChI=1S/C21H31O2PSi/c1-18(21(2,3)23-25(4,5)6)17-24(22,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18H,17H2,1-6H3/t18-/m0/s1.
What are the key properties of [(3R)-4-diphenylphosphoryl-2,3-dimethylbutan-2-yl]oxy-trimethylsilane?
[(3R)-4-diphenylphosphoryl-2,3-dimethylbutan-2-yl]oxy-trimethylsilane has a molecular weight of 374.54 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-diphenylphosphoryl-2,3-dimethylbutan-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 45073674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).