tributyl-[(E)-3-diethoxyphosphoryl-2-methylbut-1-enyl]stannane

C21H45O3PSn — CID 10874698

IUPACtributyl-[(E)-3-diethoxyphosphoryl-2-methylbut-1-enyl]stannane
SMILESCCCC[Sn](/C=C(\C)C(C)P(=O)(OCC)OCC)(CCCC)CCCC
InChIInChI=1S/C9H18O3P.3C4H9.Sn/c1-6-11-13(10,12-7-2)9(5)8(3)4;3*1-3-4-2;/h3,9H,6-7H2,1-2,4-5H3;3*1,3-4H2,2H3;
InChIKeyILVLFNAZPUJTGD-UHFFFAOYSA-N
MW495.27 g/mol
LogP7.98
Rot. Bonds16

About tributyl-[(E)-3-diethoxyphosphoryl-2-methylbut-1-enyl]stannane

tributyl-[(E)-3-diethoxyphosphoryl-2-methylbut-1-enyl]stannane (PubChem CID 10874698) has the molecular formula C21H45O3PSn and a molecular weight of 495.27 g/mol. Its IUPAC name is tributyl-[(E)-3-diethoxyphosphoryl-2-methylbut-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-3-diethoxyphosphoryl-2-methylbut-1-enyl]stannane
PubChem CID10874698
Molecular FormulaC21H45O3PSn
Molecular Weight495.27 g/mol
Exact Mass496.21
IUPAC Nametributyl-[(E)-3-diethoxyphosphoryl-2-methylbut-1-enyl]stannane
SMILESCCCC[Sn](/C=C(\C)C(C)P(=O)(OCC)OCC)(CCCC)CCCC
InChIInChI=1S/C9H18O3P.3C4H9.Sn/c1-6-11-13(10,12-7-2)9(5)8(3)4;3*1-3-4-2;/h3,9H,6-7H2,1-2,4-5H3;3*1,3-4H2,2H3;
InChIKeyILVLFNAZPUJTGD-UHFFFAOYSA-N
XLogP7.98
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 ≤ 57.98
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

Diethyl (2-methylallyl)phosphonate
CID 11008747
Diethyl (2-methylprop-1-en-1-yl)phosphonate
CID 13814071
5-Diethoxyphosphoryl-2-methylhexa-2,3-diene
CID 12534457
(E)-1-diethoxyphosphoryl-2,3-dimethylbut-1-ene
CID 134877967
(E)-1-diethoxyphosphoryl-2-methylbut-1-ene
CID 134894960
sodium (Z)-1-di(propan-2-yloxy)phosphoryl-4-tributylstannylbut-1-en-2-olate
CID 135050123
4-Diethoxyphosphoryl-2-methylbut-1-ene
CID 11264218
5-Diethoxyphosphoryl-2-methylpent-1-ene
CID 11345027
2-(Diethoxyphosphorylmethyl)-3-methylbut-1-ene
CID 20465855
3-Dipropoxyphosphoryl-2-methylprop-1-ene
CID 21442638
Ethoxy-(3-methylbut-3-enyl)-oxophosphanium
CID 56981456
Tributyl(3-diethoxyphosphorylpropa-1,2-dienyl)stannane
CID 145819975

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-3-diethoxyphosphoryl-2-methylbut-1-enyl]stannane?
The IUPAC name of tributyl-[(E)-3-diethoxyphosphoryl-2-methylbut-1-enyl]stannane (CID 10874698) is tributyl-[(E)-3-diethoxyphosphoryl-2-methylbut-1-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-3-diethoxyphosphoryl-2-methylbut-1-enyl]stannane?
The canonical SMILES for tributyl-[(E)-3-diethoxyphosphoryl-2-methylbut-1-enyl]stannane is CCCC[Sn](/C=C(\C)C(C)P(=O)(OCC)OCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-3-diethoxyphosphoryl-2-methylbut-1-enyl]stannane?
The InChIKey is ILVLFNAZPUJTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3P.3C4H9.Sn/c1-6-11-13(10,12-7-2)9(5)8(3)4;3*1-3-4-2;/h3,9H,6-7H2,1-2,4-5H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-3-diethoxyphosphoryl-2-methylbut-1-enyl]stannane?
tributyl-[(E)-3-diethoxyphosphoryl-2-methylbut-1-enyl]stannane has a molecular weight of 495.27 g/mol, XLogP of 7.98, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-3-diethoxyphosphoryl-2-methylbut-1-enyl]stannane is sourced from PubChem (CID 10874698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).