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

C19H41O3PSn — CID 177486949

IUPACtributyl-[(E)-1-diethoxyphosphorylprop-1-enyl]stannane
SMILESC/C=C(\P(=O)(OCC)OCC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C7H14O3P.3C4H9.Sn/c1-4-7-11(8,9-5-2)10-6-3;3*1-3-4-2;/h4H,5-6H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyQLUGXJAMQGFQHP-UHFFFAOYSA-N
MW467.22 g/mol
LogP7.54
Rot. Bonds15

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

tributyl-[(E)-1-diethoxyphosphorylprop-1-enyl]stannane (PubChem CID 177486949) has the molecular formula C19H41O3PSn and a molecular weight of 467.22 g/mol. Its IUPAC name is tributyl-[(E)-1-diethoxyphosphorylprop-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-1-diethoxyphosphorylprop-1-enyl]stannane
PubChem CID177486949
Molecular FormulaC19H41O3PSn
Molecular Weight467.22 g/mol
Exact Mass468.18
IUPAC Nametributyl-[(E)-1-diethoxyphosphorylprop-1-enyl]stannane
SMILESC/C=C(\P(=O)(OCC)OCC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C7H14O3P.3C4H9.Sn/c1-4-7-11(8,9-5-2)10-6-3;3*1-3-4-2;/h4H,5-6H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyQLUGXJAMQGFQHP-UHFFFAOYSA-N
XLogP7.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.22
LogP ≤ 57.54
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

tributyl-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enyl]stannane
CID 134974432
tributyl-[(Z)-1-diethoxyphosphoryl-2-ethoxyethenyl]stannane
CID 10696622
1-Diethoxyphosphorylpenta-2,3-diene
CID 12534456
tributyl-[(E)-1-diethoxyphosphorylpent-1-enyl]stannane
CID 135076139
tributyl-[(E)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enyl]stannane
CID 177508072
Diethyl (2E)-3-(tributylstannyl)-2-propenylphosphonate
CID 11798455
Tributyl(3-diethoxyphosphorylprop-2-enyl)stannane
CID 87755568
Tributyl(3-diethoxyphosphorylpropa-1,2-dienyl)stannane
CID 145819975
tributyl-[(E)-1-diethoxyphosphoryl-3-methylbut-1-enyl]stannane
CID 10051460
tributyl-[(1E,3E)-1-diethoxyphosphorylpenta-1,3-dienyl]stannane
CID 10413363
tributyl-[(E)-1-diethoxyphosphoryl-3-methoxyprop-1-enyl]stannane
CID 11027451
tributyl-[(E)-1-diethoxyphosphorylhex-1-enyl]stannane
CID 11124047

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-1-diethoxyphosphorylprop-1-enyl]stannane?
The IUPAC name of tributyl-[(E)-1-diethoxyphosphorylprop-1-enyl]stannane (CID 177486949) is tributyl-[(E)-1-diethoxyphosphorylprop-1-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-1-diethoxyphosphorylprop-1-enyl]stannane?
The canonical SMILES for tributyl-[(E)-1-diethoxyphosphorylprop-1-enyl]stannane is C/C=C(\P(=O)(OCC)OCC)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-1-diethoxyphosphorylprop-1-enyl]stannane?
The InChIKey is QLUGXJAMQGFQHP-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;/h4H,5-6H2,1-3H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-1-diethoxyphosphorylprop-1-enyl]stannane?
tributyl-[(E)-1-diethoxyphosphorylprop-1-enyl]stannane has a molecular weight of 467.22 g/mol, XLogP of 7.54, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-1-diethoxyphosphorylprop-1-enyl]stannane is sourced from PubChem (CID 177486949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).