[[fluorooxy(trimethylsilyloxy)phosphoryl]-bis(trimethylsilyl)methyl]-trimethylsilyloxyphosphinic acid

C13H37FO6P2Si4 — CID 54468638

IUPAC[[fluorooxy(trimethylsilyloxy)phosphoryl]-bis(trimethylsilyl)methyl]-trimethylsilyloxyphosphinic acid
SMILESC[Si](C)(C)OP(=O)(O)C([Si](C)(C)C)([Si](C)(C)C)P(=O)(OF)O[Si](C)(C)C
InChIInChI=1S/C13H37FO6P2Si4/c1-23(2,3)13(24(4,5)6,21(15,16)19-25(7,8)9)22(17,18-14)20-26(10,11)12/h1-12H3,(H,15,16)
InChIKeyXGSSWWZAALOKOM-UHFFFAOYSA-N
MW482.72 g/mol
LogP6.42
Rot. Bonds9

About [[fluorooxy(trimethylsilyloxy)phosphoryl]-bis(trimethylsilyl)methyl]-trimethylsilyloxyphosphinic acid

[[fluorooxy(trimethylsilyloxy)phosphoryl]-bis(trimethylsilyl)methyl]-trimethylsilyloxyphosphinic acid (PubChem CID 54468638) has the molecular formula C13H37FO6P2Si4 and a molecular weight of 482.72 g/mol. Its IUPAC name is [[fluorooxy(trimethylsilyloxy)phosphoryl]-bis(trimethylsilyl)methyl]-trimethylsilyloxyphosphinic acid.

Molecular Properties

Compound Name[[fluorooxy(trimethylsilyloxy)phosphoryl]-bis(trimethylsilyl)methyl]-trimethylsilyloxyphosphinic acid
PubChem CID54468638
Molecular FormulaC13H37FO6P2Si4
Molecular Weight482.72 g/mol
Exact Mass482.11
IUPAC Name[[fluorooxy(trimethylsilyloxy)phosphoryl]-bis(trimethylsilyl)methyl]-trimethylsilyloxyphosphinic acid
SMILESC[Si](C)(C)OP(=O)(O)C([Si](C)(C)C)([Si](C)(C)C)P(=O)(OF)O[Si](C)(C)C
InChIInChI=1S/C13H37FO6P2Si4/c1-23(2,3)13(24(4,5)6,21(15,16)19-25(7,8)9)22(17,18-14)20-26(10,11)12/h1-12H3,(H,15,16)
InChIKeyXGSSWWZAALOKOM-UHFFFAOYSA-N
XLogP6.42
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.72
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 [[fluorooxy(trimethylsilyloxy)phosphoryl]-bis(trimethylsilyl)methyl]-trimethylsilyloxyphosphinic acid?
The IUPAC name of [[fluorooxy(trimethylsilyloxy)phosphoryl]-bis(trimethylsilyl)methyl]-trimethylsilyloxyphosphinic acid (CID 54468638) is [[fluorooxy(trimethylsilyloxy)phosphoryl]-bis(trimethylsilyl)methyl]-trimethylsilyloxyphosphinic acid.
What is the SMILES notation for [[fluorooxy(trimethylsilyloxy)phosphoryl]-bis(trimethylsilyl)methyl]-trimethylsilyloxyphosphinic acid?
The canonical SMILES for [[fluorooxy(trimethylsilyloxy)phosphoryl]-bis(trimethylsilyl)methyl]-trimethylsilyloxyphosphinic acid is C[Si](C)(C)OP(=O)(O)C([Si](C)(C)C)([Si](C)(C)C)P(=O)(OF)O[Si](C)(C)C.
What is the InChIKey of [[fluorooxy(trimethylsilyloxy)phosphoryl]-bis(trimethylsilyl)methyl]-trimethylsilyloxyphosphinic acid?
The InChIKey is XGSSWWZAALOKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H37FO6P2Si4/c1-23(2,3)13(24(4,5)6,21(15,16)19-25(7,8)9)22(17,18-14)20-26(10,11)12/h1-12H3,(H,15,16).
What are the key properties of [[fluorooxy(trimethylsilyloxy)phosphoryl]-bis(trimethylsilyl)methyl]-trimethylsilyloxyphosphinic acid?
[[fluorooxy(trimethylsilyloxy)phosphoryl]-bis(trimethylsilyl)methyl]-trimethylsilyloxyphosphinic acid has a molecular weight of 482.72 g/mol, XLogP of 6.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[fluorooxy(trimethylsilyloxy)phosphoryl]-bis(trimethylsilyl)methyl]-trimethylsilyloxyphosphinic acid is sourced from PubChem (CID 54468638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).