[(2S,3R)-1-diphenylphosphoryl-2-trimethylsilyloxyheptan-3-yl]oxy-trimethylsilane

C25H41O3PSi2 — CID 10695952

IUPAC[(2S,3R)-1-diphenylphosphoryl-2-trimethylsilyloxyheptan-3-yl]oxy-trimethylsilane
SMILESCCCC[C@@H](O[Si](C)(C)C)[C@@H](CP(=O)(c1ccccc1)c1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C25H41O3PSi2/c1-8-9-20-24(27-30(2,3)4)25(28-31(5,6)7)21-29(26,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h10-19,24-25H,8-9,20-21H2,1-7H3/t24-,25-/m1/s1
InChIKeyHLXNZHKBFKIDID-JWQCQUIFSA-N
MW476.75 g/mol
LogP6.63
Rot. Bonds12

About [(2S,3R)-1-diphenylphosphoryl-2-trimethylsilyloxyheptan-3-yl]oxy-trimethylsilane

[(2S,3R)-1-diphenylphosphoryl-2-trimethylsilyloxyheptan-3-yl]oxy-trimethylsilane (PubChem CID 10695952) has the molecular formula C25H41O3PSi2 and a molecular weight of 476.75 g/mol. Its IUPAC name is [(2S,3R)-1-diphenylphosphoryl-2-trimethylsilyloxyheptan-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2S,3R)-1-diphenylphosphoryl-2-trimethylsilyloxyheptan-3-yl]oxy-trimethylsilane
PubChem CID10695952
Molecular FormulaC25H41O3PSi2
Molecular Weight476.75 g/mol
Exact Mass476.23
IUPAC Name[(2S,3R)-1-diphenylphosphoryl-2-trimethylsilyloxyheptan-3-yl]oxy-trimethylsilane
SMILESCCCC[C@@H](O[Si](C)(C)C)[C@@H](CP(=O)(c1ccccc1)c1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C25H41O3PSi2/c1-8-9-20-24(27-30(2,3)4)25(28-31(5,6)7)21-29(26,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h10-19,24-25H,8-9,20-21H2,1-7H3/t24-,25-/m1/s1
InChIKeyHLXNZHKBFKIDID-JWQCQUIFSA-N
XLogP6.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.75
LogP ≤ 56.63
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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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-1-diphenylphosphoryl-2-trimethylsilyloxyheptan-3-yl]oxy-trimethylsilane?
The IUPAC name of [(2S,3R)-1-diphenylphosphoryl-2-trimethylsilyloxyheptan-3-yl]oxy-trimethylsilane (CID 10695952) is [(2S,3R)-1-diphenylphosphoryl-2-trimethylsilyloxyheptan-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2S,3R)-1-diphenylphosphoryl-2-trimethylsilyloxyheptan-3-yl]oxy-trimethylsilane?
The canonical SMILES for [(2S,3R)-1-diphenylphosphoryl-2-trimethylsilyloxyheptan-3-yl]oxy-trimethylsilane is CCCC[C@@H](O[Si](C)(C)C)[C@@H](CP(=O)(c1ccccc1)c1ccccc1)O[Si](C)(C)C.
What is the InChIKey of [(2S,3R)-1-diphenylphosphoryl-2-trimethylsilyloxyheptan-3-yl]oxy-trimethylsilane?
The InChIKey is HLXNZHKBFKIDID-JWQCQUIFSA-N. The full InChI is InChI=1S/C25H41O3PSi2/c1-8-9-20-24(27-30(2,3)4)25(28-31(5,6)7)21-29(26,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h10-19,24-25H,8-9,20-21H2,1-7H3/t24-,25-/m1/s1.
What are the key properties of [(2S,3R)-1-diphenylphosphoryl-2-trimethylsilyloxyheptan-3-yl]oxy-trimethylsilane?
[(2S,3R)-1-diphenylphosphoryl-2-trimethylsilyloxyheptan-3-yl]oxy-trimethylsilane has a molecular weight of 476.75 g/mol, XLogP of 6.63, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-1-diphenylphosphoryl-2-trimethylsilyloxyheptan-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 10695952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).