[dibutyl(diethoxyphosphoryloxy)stannyl] diethyl phosphate

C16H38O8P2Sn — CID 16683542

IUPAC[dibutyl(diethoxyphosphoryloxy)stannyl] diethyl phosphate
SMILESCCCC[Sn](CCCC)(OP(=O)(OCC)OCC)OP(=O)(OCC)OCC
InChIInChI=1S/2C4H11O4P.2C4H9.Sn/c2*1-3-7-9(5,6)8-4-2;2*1-3-4-2;/h2*3-4H2,1-2H3,(H,5,6);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyRNKLFFAWFSDRFC-UHFFFAOYSA-L
MW539.13 g/mol
LogP6.42
Rot. Bonds18

About [dibutyl(diethoxyphosphoryloxy)stannyl] diethyl phosphate

[dibutyl(diethoxyphosphoryloxy)stannyl] diethyl phosphate (PubChem CID 16683542) has the molecular formula C16H38O8P2Sn and a molecular weight of 539.13 g/mol. Its IUPAC name is [dibutyl(diethoxyphosphoryloxy)stannyl] diethyl phosphate.

Molecular Properties

Compound Name[dibutyl(diethoxyphosphoryloxy)stannyl] diethyl phosphate
PubChem CID16683542
Molecular FormulaC16H38O8P2Sn
Molecular Weight539.13 g/mol
Exact Mass540.11
IUPAC Name[dibutyl(diethoxyphosphoryloxy)stannyl] diethyl phosphate
SMILESCCCC[Sn](CCCC)(OP(=O)(OCC)OCC)OP(=O)(OCC)OCC
InChIInChI=1S/2C4H11O4P.2C4H9.Sn/c2*1-3-7-9(5,6)8-4-2;2*1-3-4-2;/h2*3-4H2,1-2H3,(H,5,6);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyRNKLFFAWFSDRFC-UHFFFAOYSA-L
XLogP6.42
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.13
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

tributyl-[(E)-2-diethoxyphosphorylethenyl]stannane
CID 177387685
aluminum;triethyl phosphate;phosphate
CID 174993171
dibutyl(diethoxy)stannane
CID 16693734
azane;didodecyl ethyl phosphate
CID 170436215
tributyl(diethoxyphosphoryloxy)phosphanium
CID 175318995
sulfur trioxide;triethyl phosphate
CID 86745268
triethyl phosphate;bis(trimethylsilane)
CID 175760856
hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
CID 139152951
CID 177007311
CID 177007311
5-diethoxyphosphoryloxypentyl diethyl phosphate
CID 23412798
ethyl fluoro octyl phosphate
CID 141337473
[3,4-bis(diethoxyphosphoryl)-5-tributylstannylthiophen-2-yl]-tributylstannane
CID 86638412

Frequently Asked Questions

What is the IUPAC name of [dibutyl(diethoxyphosphoryloxy)stannyl] diethyl phosphate?
The IUPAC name of [dibutyl(diethoxyphosphoryloxy)stannyl] diethyl phosphate (CID 16683542) is [dibutyl(diethoxyphosphoryloxy)stannyl] diethyl phosphate.
What is the SMILES notation for [dibutyl(diethoxyphosphoryloxy)stannyl] diethyl phosphate?
The canonical SMILES for [dibutyl(diethoxyphosphoryloxy)stannyl] diethyl phosphate is CCCC[Sn](CCCC)(OP(=O)(OCC)OCC)OP(=O)(OCC)OCC.
What is the InChIKey of [dibutyl(diethoxyphosphoryloxy)stannyl] diethyl phosphate?
The InChIKey is RNKLFFAWFSDRFC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H11O4P.2C4H9.Sn/c2*1-3-7-9(5,6)8-4-2;2*1-3-4-2;/h2*3-4H2,1-2H3,(H,5,6);2*1,3-4H2,2H3;/q;;;;+2/p-2.
What are the key properties of [dibutyl(diethoxyphosphoryloxy)stannyl] diethyl phosphate?
[dibutyl(diethoxyphosphoryloxy)stannyl] diethyl phosphate has a molecular weight of 539.13 g/mol, XLogP of 6.42, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [dibutyl(diethoxyphosphoryloxy)stannyl] diethyl phosphate is sourced from PubChem (CID 16683542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).