tributyl-[(E)-3-diethoxyphosphorylprop-1-enyl]stannane

C19H41O3PSn — CID 11798455

IUPACtributyl-[(E)-3-diethoxyphosphorylprop-1-enyl]stannane
SMILESCCCC[Sn](/C=C/CP(=O)(OCC)OCC)(CCCC)CCCC
InChIInChI=1S/C7H14O3P.3C4H9.Sn/c1-4-7-11(8,9-5-2)10-6-3;3*1-3-4-2;/h1,4H,5-7H2,2-3H3;3*1,3-4H2,2H3;
InChIKeyXEUACRAFQWEUGP-UHFFFAOYSA-N
MW467.22 g/mol
LogP7.20
Rot. Bonds16

About tributyl-[(E)-3-diethoxyphosphorylprop-1-enyl]stannane

tributyl-[(E)-3-diethoxyphosphorylprop-1-enyl]stannane (PubChem CID 11798455) has the molecular formula C19H41O3PSn and a molecular weight of 467.22 g/mol. Its IUPAC name is tributyl-[(E)-3-diethoxyphosphorylprop-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-3-diethoxyphosphorylprop-1-enyl]stannane
PubChem CID11798455
Molecular FormulaC19H41O3PSn
Molecular Weight467.22 g/mol
Exact Mass468.18
IUPAC Nametributyl-[(E)-3-diethoxyphosphorylprop-1-enyl]stannane
SMILESCCCC[Sn](/C=C/CP(=O)(OCC)OCC)(CCCC)CCCC
InChIInChI=1S/C7H14O3P.3C4H9.Sn/c1-4-7-11(8,9-5-2)10-6-3;3*1-3-4-2;/h1,4H,5-7H2,2-3H3;3*1,3-4H2,2H3;
InChIKeyXEUACRAFQWEUGP-UHFFFAOYSA-N
XLogP7.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.22
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phosphinic acid, diallyl-, propyl ester
CID 120311
Phosphinic acid, diallyl-, ethyl ester
CID 120374
Diethyl allylphosphonate
CID 573014
Diethyl 2-butenylphosphonate, predominantly trans
CID 10943314
Phosphonic acid, allyl-, dibutyl ester
CID 199692
Phosphonic acid, propyl-, diallyl ester
CID 3056462
Diethyl 3-butenylphosphonate
CID 10997850
Diethyl (1E)-prop-1-en-1-ylphosphonate
CID 5702572
Fosfomycin Impurity 18
CID 12487674
Diethyl prop-1-en-1-ylphosphonate
CID 2733601
(1E)-1-diethoxyphosphoryl-buta-1,3-diene
CID 11446819
1-[butoxy-[(E)-prop-1-enyl]phosphoryl]oxybutane
CID 12470673

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-3-diethoxyphosphorylprop-1-enyl]stannane?
The IUPAC name of tributyl-[(E)-3-diethoxyphosphorylprop-1-enyl]stannane (CID 11798455) is tributyl-[(E)-3-diethoxyphosphorylprop-1-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-3-diethoxyphosphorylprop-1-enyl]stannane?
The canonical SMILES for tributyl-[(E)-3-diethoxyphosphorylprop-1-enyl]stannane is CCCC[Sn](/C=C/CP(=O)(OCC)OCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-3-diethoxyphosphorylprop-1-enyl]stannane?
The InChIKey is XEUACRAFQWEUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3P.3C4H9.Sn/c1-4-7-11(8,9-5-2)10-6-3;3*1-3-4-2;/h1,4H,5-7H2,2-3H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-3-diethoxyphosphorylprop-1-enyl]stannane?
tributyl-[(E)-3-diethoxyphosphorylprop-1-enyl]stannane has a molecular weight of 467.22 g/mol, XLogP of 7.20, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-3-diethoxyphosphorylprop-1-enyl]stannane is sourced from PubChem (CID 11798455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).