tributyl(1-diethoxyphosphorylethenyl)stannane

C18H39O3PSn — CID 86043638

IUPACtributyl(1-diethoxyphosphorylethenyl)stannane
SMILESC=C(P(=O)(OCC)OCC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C6H12O3P.3C4H9.Sn/c1-4-8-10(7,6-3)9-5-2;3*1-3-4-2;/h3-5H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyFRGTYINFDQCZSY-UHFFFAOYSA-N
MW453.19 g/mol
LogP7.15
Rot. Bonds15

About tributyl(1-diethoxyphosphorylethenyl)stannane

tributyl(1-diethoxyphosphorylethenyl)stannane (PubChem CID 86043638) has the molecular formula C18H39O3PSn and a molecular weight of 453.19 g/mol. Its IUPAC name is tributyl(1-diethoxyphosphorylethenyl)stannane.

Molecular Properties

Compound Nametributyl(1-diethoxyphosphorylethenyl)stannane
PubChem CID86043638
Molecular FormulaC18H39O3PSn
Molecular Weight453.19 g/mol
Exact Mass454.17
IUPAC Nametributyl(1-diethoxyphosphorylethenyl)stannane
SMILESC=C(P(=O)(OCC)OCC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C6H12O3P.3C4H9.Sn/c1-4-8-10(7,6-3)9-5-2;3*1-3-4-2;/h3-5H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyFRGTYINFDQCZSY-UHFFFAOYSA-N
XLogP7.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.19
LogP ≤ 57.15
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

Tetrabutyl ethylene diphosphonate
CID 13661369
tributyl-[(Z)-1-diethoxyphosphoryl-2-ethoxyethenyl]stannane
CID 10696622
tributyl-[(E)-1-diethoxyphosphorylpent-1-enyl]stannane
CID 135076139
Diethyl (2E)-3-(tributylstannyl)-2-propenylphosphonate
CID 11798455
Diethyl tributylstannyl phosphate
CID 16686248
Diethyl phosphate;tributylstannanylium
CID 20043491
1-[Butoxy(1-dipropoxyphosphorylethenyl)phosphoryl]oxybutane
CID 23044677
1-[1-Dibutoxyphosphorylethenyl(ethoxy)phosphoryl]oxybutane
CID 23044704
Tributyl(3-diethoxyphosphorylprop-2-enyl)stannane
CID 87755568
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
CID 10462691
CID 10462691

Frequently Asked Questions

What is the IUPAC name of tributyl(1-diethoxyphosphorylethenyl)stannane?
The IUPAC name of tributyl(1-diethoxyphosphorylethenyl)stannane (CID 86043638) is tributyl(1-diethoxyphosphorylethenyl)stannane.
What is the SMILES notation for tributyl(1-diethoxyphosphorylethenyl)stannane?
The canonical SMILES for tributyl(1-diethoxyphosphorylethenyl)stannane is C=C(P(=O)(OCC)OCC)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(1-diethoxyphosphorylethenyl)stannane?
The InChIKey is FRGTYINFDQCZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3P.3C4H9.Sn/c1-4-8-10(7,6-3)9-5-2;3*1-3-4-2;/h3-5H2,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl(1-diethoxyphosphorylethenyl)stannane?
tributyl(1-diethoxyphosphorylethenyl)stannane has a molecular weight of 453.19 g/mol, XLogP of 7.15, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(1-diethoxyphosphorylethenyl)stannane is sourced from PubChem (CID 86043638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).