tributyl-[(E)-1-diethoxyphosphoryl-3-methylbut-1-enyl]stannane

C21H45O3PSn — CID 10051460

IUPACtributyl-[(E)-1-diethoxyphosphoryl-3-methylbut-1-enyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/C(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C9H18O3P.3C4H9.Sn/c1-5-11-13(10,12-6-2)8-7-9(3)4;3*1-3-4-2;/h7,9H,5-6H2,1-4H3;3*1,3-4H2,2H3;
InChIKeySGXUBKPYFVGABG-UHFFFAOYSA-N
MW495.27 g/mol
LogP8.18
Rot. Bonds16

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

tributyl-[(E)-1-diethoxyphosphoryl-3-methylbut-1-enyl]stannane (PubChem CID 10051460) has the molecular formula C21H45O3PSn and a molecular weight of 495.27 g/mol. Its IUPAC name is tributyl-[(E)-1-diethoxyphosphoryl-3-methylbut-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-1-diethoxyphosphoryl-3-methylbut-1-enyl]stannane
PubChem CID10051460
Molecular FormulaC21H45O3PSn
Molecular Weight495.27 g/mol
Exact Mass496.21
IUPAC Nametributyl-[(E)-1-diethoxyphosphoryl-3-methylbut-1-enyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/C(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C9H18O3P.3C4H9.Sn/c1-5-11-13(10,12-6-2)8-7-9(3)4;3*1-3-4-2;/h7,9H,5-6H2,1-4H3;3*1,3-4H2,2H3;
InChIKeySGXUBKPYFVGABG-UHFFFAOYSA-N
XLogP8.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.27
LogP ≤ 58.18
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

2-Diethoxyphosphoryl-3-methylbut-1-ene
CID 19006548
2-Diethoxyphosphorylhexa-2,3-diene
CID 135064822
tributyl-[(E)-1-diethoxyphosphorylpent-1-enyl]stannane
CID 135076139
(Z)-1-diethoxyphosphoryl-1-fluoro-3-methylbut-1-ene
CID 11172117
(E)-1-diethoxyphosphoryl-1-fluoro-3-methylbut-1-ene
CID 11276135
tributyl-[(E)-1-diethoxyphosphoryl-3-methylpent-1-enyl]stannane
CID 10255730
tributyl-[(E)-3-diethoxyphosphoryl-2-methylbut-1-enyl]stannane
CID 10874698
tributyl-[(E)-1-diethoxyphosphorylhex-1-enyl]stannane
CID 11124047
tributyl-[(E)-1-diethoxyphosphorylhept-1-enyl]stannane
CID 11731062
1-Diethoxyphosphoryl-4-methylpenta-1,2-diene
CID 13016164
Tributyl(2-diethoxyphosphorylpent-4-en-2-yl)stannane
CID 15113640
Diethyl [1-(tributylstannyl)hept-1-en-1-yl]phosphonate
CID 71377373

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-1-diethoxyphosphoryl-3-methylbut-1-enyl]stannane?
The IUPAC name of tributyl-[(E)-1-diethoxyphosphoryl-3-methylbut-1-enyl]stannane (CID 10051460) is tributyl-[(E)-1-diethoxyphosphoryl-3-methylbut-1-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-1-diethoxyphosphoryl-3-methylbut-1-enyl]stannane?
The canonical SMILES for tributyl-[(E)-1-diethoxyphosphoryl-3-methylbut-1-enyl]stannane is CCCC[Sn](CCCC)(CCCC)/C(=C/C(C)C)P(=O)(OCC)OCC.
What is the InChIKey of tributyl-[(E)-1-diethoxyphosphoryl-3-methylbut-1-enyl]stannane?
The InChIKey is SGXUBKPYFVGABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3P.3C4H9.Sn/c1-5-11-13(10,12-6-2)8-7-9(3)4;3*1-3-4-2;/h7,9H,5-6H2,1-4H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-1-diethoxyphosphoryl-3-methylbut-1-enyl]stannane?
tributyl-[(E)-1-diethoxyphosphoryl-3-methylbut-1-enyl]stannane has a molecular weight of 495.27 g/mol, XLogP of 8.18, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-1-diethoxyphosphoryl-3-methylbut-1-enyl]stannane is sourced from PubChem (CID 10051460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).