tributyl-[(Z)-1-diethoxyphosphoryl-2-ethoxyethenyl]stannane

C20H43O4PSn — CID 10696622

IUPACtributyl-[(Z)-1-diethoxyphosphoryl-2-ethoxyethenyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\OCC)P(=O)(OCC)OCC
InChIInChI=1S/C8H16O4P.3C4H9.Sn/c1-4-10-7-8-13(9,11-5-2)12-6-3;3*1-3-4-2;/h7H,4-6H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyACZQLDYBKYWAJY-UHFFFAOYSA-N
MW497.25 g/mol
LogP7.52
Rot. Bonds17

About tributyl-[(Z)-1-diethoxyphosphoryl-2-ethoxyethenyl]stannane

tributyl-[(Z)-1-diethoxyphosphoryl-2-ethoxyethenyl]stannane (PubChem CID 10696622) has the molecular formula C20H43O4PSn and a molecular weight of 497.25 g/mol. Its IUPAC name is tributyl-[(Z)-1-diethoxyphosphoryl-2-ethoxyethenyl]stannane.

Molecular Properties

Compound Nametributyl-[(Z)-1-diethoxyphosphoryl-2-ethoxyethenyl]stannane
PubChem CID10696622
Molecular FormulaC20H43O4PSn
Molecular Weight497.25 g/mol
Exact Mass498.19
IUPAC Nametributyl-[(Z)-1-diethoxyphosphoryl-2-ethoxyethenyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\OCC)P(=O)(OCC)OCC
InChIInChI=1S/C8H16O4P.3C4H9.Sn/c1-4-10-7-8-13(9,11-5-2)12-6-3;3*1-3-4-2;/h7H,4-6H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyACZQLDYBKYWAJY-UHFFFAOYSA-N
XLogP7.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.25
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(1-Diethoxyphosphoryl-ethenoxy)-ethane
CID 2784304
Tetrabutyl ethylene diphosphonate
CID 13661369
1-[Butoxy(1-ethoxyethenyl)phosphoryl]oxybutane
CID 305825
1-[Butoxy(1-dipropoxyphosphorylethenyl)phosphoryl]oxybutane
CID 23044677
1-[1-Dibutoxyphosphorylethenyl(ethoxy)phosphoryl]oxybutane
CID 23044704
Butane;1-diethoxyphosphoryl-1-(1-diethoxyphosphorylethenoxy)ethene
CID 88331042
Tributyl(3-diethoxyphosphorylpropa-1,2-dienyl)stannane
CID 145819975
Butane;ethene;1-[ethoxy(methyl)phosphoryl]oxyethane;methane;1-[methoxy(methyl)phosphoryl]oxyethane;propane
CID 160544478
Tributyl(1-diethoxyphosphorylethenyl)stannane
CID 86043638
CID 100922496
CID 100922496
1-(1-Diethoxyphosphorylethenoxy)butane
CID 100931500
tributyl-[(E)-2-diethoxyphosphorylethenyl]stannane
CID 177387685

Frequently Asked Questions

What is the IUPAC name of tributyl-[(Z)-1-diethoxyphosphoryl-2-ethoxyethenyl]stannane?
The IUPAC name of tributyl-[(Z)-1-diethoxyphosphoryl-2-ethoxyethenyl]stannane (CID 10696622) is tributyl-[(Z)-1-diethoxyphosphoryl-2-ethoxyethenyl]stannane.
What is the SMILES notation for tributyl-[(Z)-1-diethoxyphosphoryl-2-ethoxyethenyl]stannane?
The canonical SMILES for tributyl-[(Z)-1-diethoxyphosphoryl-2-ethoxyethenyl]stannane is CCCC[Sn](CCCC)(CCCC)/C(=C\OCC)P(=O)(OCC)OCC.
What is the InChIKey of tributyl-[(Z)-1-diethoxyphosphoryl-2-ethoxyethenyl]stannane?
The InChIKey is ACZQLDYBKYWAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4P.3C4H9.Sn/c1-4-10-7-8-13(9,11-5-2)12-6-3;3*1-3-4-2;/h7H,4-6H2,1-3H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(Z)-1-diethoxyphosphoryl-2-ethoxyethenyl]stannane?
tributyl-[(Z)-1-diethoxyphosphoryl-2-ethoxyethenyl]stannane has a molecular weight of 497.25 g/mol, XLogP of 7.52, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(Z)-1-diethoxyphosphoryl-2-ethoxyethenyl]stannane is sourced from PubChem (CID 10696622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).