1-[methyl(diphenyl)silyl]ethyl dihydrogen phosphate

C15H19O4PSi — CID 66869772

IUPAC1-[methyl(diphenyl)silyl]ethyl dihydrogen phosphate
SMILESCC(OP(=O)(O)O)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H19O4PSi/c1-13(19-20(16,17)18)21(2,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3,(H2,16,17,18)
InChIKeyLTGIYDZZTMYPHJ-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.92
Rot. Bonds5

About 1-[methyl(diphenyl)silyl]ethyl dihydrogen phosphate

1-[methyl(diphenyl)silyl]ethyl dihydrogen phosphate (PubChem CID 66869772) has the molecular formula C15H19O4PSi and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[methyl(diphenyl)silyl]ethyl dihydrogen phosphate.

Molecular Properties

Compound Name1-[methyl(diphenyl)silyl]ethyl dihydrogen phosphate
PubChem CID66869772
Molecular FormulaC15H19O4PSi
Molecular Weight322.37 g/mol
Exact Mass322.08
IUPAC Name1-[methyl(diphenyl)silyl]ethyl dihydrogen phosphate
SMILESCC(OP(=O)(O)O)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H19O4PSi/c1-13(19-20(16,17)18)21(2,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3,(H2,16,17,18)
InChIKeyLTGIYDZZTMYPHJ-UHFFFAOYSA-N
XLogP1.92
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
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

[phenyl(phosphonooxy)methyl] dihydrogen phosphate
CID 141454803
[fluoro(phenyl)methyl] dihydrogen phosphate
CID 19734110
methyl(1-phenylethoxy)phosphinic acid
CID 154330211
magnesium;hydride;1-phosphonooxyethyl dihydrogen phosphate
CID 175158415
1-dibenzhydryloxyphosphorylethanol
CID 13148202
dinaphthalen-1-ylmethyl (2R)-2-[methyl(diphenyl)silyl]propanoate
CID 134958177
2,2-dimethyl-1-[[methyl(diphenyl)silyl]oxy-(2-methylpropyl)phosphoryl]propan-1-one
CID 67903687
2-methylpropyl(phenyl)phosphinic acid
CID 793404
[(1S)-1-phenylethyl]phosphonic acid
CID 10511745
methyl-phenyl-di(propan-2-yloxy)silane
CID 15206336
methyl-(methyl-phenyl-propan-2-yloxysilyl)-phenyl-propan-2-yloxysilane
CID 102481335
1,2-oxazol-3-amine;propan-2-yl dihydrogen phosphate
CID 175603853

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(diphenyl)silyl]ethyl dihydrogen phosphate?
The IUPAC name of 1-[methyl(diphenyl)silyl]ethyl dihydrogen phosphate (CID 66869772) is 1-[methyl(diphenyl)silyl]ethyl dihydrogen phosphate.
What is the SMILES notation for 1-[methyl(diphenyl)silyl]ethyl dihydrogen phosphate?
The canonical SMILES for 1-[methyl(diphenyl)silyl]ethyl dihydrogen phosphate is CC(OP(=O)(O)O)[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[methyl(diphenyl)silyl]ethyl dihydrogen phosphate?
The InChIKey is LTGIYDZZTMYPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19O4PSi/c1-13(19-20(16,17)18)21(2,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3,(H2,16,17,18).
What are the key properties of 1-[methyl(diphenyl)silyl]ethyl dihydrogen phosphate?
1-[methyl(diphenyl)silyl]ethyl dihydrogen phosphate has a molecular weight of 322.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(diphenyl)silyl]ethyl dihydrogen phosphate is sourced from PubChem (CID 66869772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).