tributyl-[(E)-4,4-diethoxybut-1-enyl]stannane

C20H42O2Sn — CID 10574786

IUPACtributyl-[(E)-4,4-diethoxybut-1-enyl]stannane
SMILESCCCC[Sn](/C=C/CC(OCC)OCC)(CCCC)CCCC
InChIInChI=1S/C8H15O2.3C4H9.Sn/c1-4-7-8(9-5-2)10-6-3;3*1-3-4-2;/h1,4,8H,5-7H2,2-3H3;3*1,3-4H2,2H3;
InChIKeyQYPYRVLOOGTSIG-UHFFFAOYSA-N
MW433.27 g/mol
LogP6.72
Rot. Bonds16

About tributyl-[(E)-4,4-diethoxybut-1-enyl]stannane

tributyl-[(E)-4,4-diethoxybut-1-enyl]stannane (PubChem CID 10574786) has the molecular formula C20H42O2Sn and a molecular weight of 433.27 g/mol. Its IUPAC name is tributyl-[(E)-4,4-diethoxybut-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-4,4-diethoxybut-1-enyl]stannane
PubChem CID10574786
Molecular FormulaC20H42O2Sn
Molecular Weight433.27 g/mol
Exact Mass434.22
IUPAC Nametributyl-[(E)-4,4-diethoxybut-1-enyl]stannane
SMILESCCCC[Sn](/C=C/CC(OCC)OCC)(CCCC)CCCC
InChIInChI=1S/C8H15O2.3C4H9.Sn/c1-4-7-8(9-5-2)10-6-3;3*1-3-4-2;/h1,4,8H,5-7H2,2-3H3;3*1,3-4H2,2H3;
InChIKeyQYPYRVLOOGTSIG-UHFFFAOYSA-N
XLogP6.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.27
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane
CID 14592139
tributyl-[(E)-3-ethoxybut-1-enyl]stannane
CID 10340261
tributyl-[(Z)-2-tributylstannylethenyl]stannane
CID 12858946
dimethyl 2-[(E)-3-tributylstannylprop-2-enyl]propanedioate
CID 177384195
tributyl-[(Z)-4,4-diethoxy-3-methylbut-1-enyl]stannane
CID 14532960
(E)-3-tributylstannylprop-2-en-1-amine
CID 45040600
2,5-bis(tributylstannyl)pent-4-enoic acid
CID 173392847
(3Z,6Z,9Z)-1,1-diethoxydodeca-3,6,9-triene
CID 10879603
(E)-5,5-diethoxypent-2-en-1-ol
CID 12533995
tributyl(4-tributylstannylbut-3-enoxy)stannane
CID 141193186
N-(4,4-diethoxybut-1-enylsilyl)-N-methylmethanamine
CID 154083260
tributyl-[(1E,3E)-4-ethoxybuta-1,3-dienyl]stannane
CID 10960038

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-4,4-diethoxybut-1-enyl]stannane?
The IUPAC name of tributyl-[(E)-4,4-diethoxybut-1-enyl]stannane (CID 10574786) is tributyl-[(E)-4,4-diethoxybut-1-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-4,4-diethoxybut-1-enyl]stannane?
The canonical SMILES for tributyl-[(E)-4,4-diethoxybut-1-enyl]stannane is CCCC[Sn](/C=C/CC(OCC)OCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-4,4-diethoxybut-1-enyl]stannane?
The InChIKey is QYPYRVLOOGTSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O2.3C4H9.Sn/c1-4-7-8(9-5-2)10-6-3;3*1-3-4-2;/h1,4,8H,5-7H2,2-3H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-4,4-diethoxybut-1-enyl]stannane?
tributyl-[(E)-4,4-diethoxybut-1-enyl]stannane has a molecular weight of 433.27 g/mol, XLogP of 6.72, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-4,4-diethoxybut-1-enyl]stannane is sourced from PubChem (CID 10574786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).