tributyl-[(1E)-3-methylbuta-1,3-dienyl]stannane

C17H34Sn — CID 15084773

IUPACtributyl-[(1E)-3-methylbuta-1,3-dienyl]stannane
SMILESC=C(C)/C=C/[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C5H7.3C4H9.Sn/c1-4-5(2)3;3*1-3-4-2;/h1,4H,2H2,3H3;3*1,3-4H2,2H3;
InChIKeyGFNXQMCZIIYFBL-UHFFFAOYSA-N
MW357.17 g/mol
LogP6.51
Rot. Bonds11

About tributyl-[(1E)-3-methylbuta-1,3-dienyl]stannane

tributyl-[(1E)-3-methylbuta-1,3-dienyl]stannane (PubChem CID 15084773) has the molecular formula C17H34Sn and a molecular weight of 357.17 g/mol. Its IUPAC name is tributyl-[(1E)-3-methylbuta-1,3-dienyl]stannane.

Molecular Properties

Compound Nametributyl-[(1E)-3-methylbuta-1,3-dienyl]stannane
PubChem CID15084773
Molecular FormulaC17H34Sn
Molecular Weight357.17 g/mol
Exact Mass358.17
IUPAC Nametributyl-[(1E)-3-methylbuta-1,3-dienyl]stannane
SMILESC=C(C)/C=C/[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C5H7.3C4H9.Sn/c1-4-5(2)3;3*1-3-4-2;/h1,4H,2H2,3H3;3*1,3-4H2,2H3;
InChIKeyGFNXQMCZIIYFBL-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.17
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(1E)-3-methylbuta-1,3-dienyl]stannane?
The IUPAC name of tributyl-[(1E)-3-methylbuta-1,3-dienyl]stannane (CID 15084773) is tributyl-[(1E)-3-methylbuta-1,3-dienyl]stannane.
What is the SMILES notation for tributyl-[(1E)-3-methylbuta-1,3-dienyl]stannane?
The canonical SMILES for tributyl-[(1E)-3-methylbuta-1,3-dienyl]stannane is C=C(C)/C=C/[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(1E)-3-methylbuta-1,3-dienyl]stannane?
The InChIKey is GFNXQMCZIIYFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7.3C4H9.Sn/c1-4-5(2)3;3*1-3-4-2;/h1,4H,2H2,3H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(1E)-3-methylbuta-1,3-dienyl]stannane?
tributyl-[(1E)-3-methylbuta-1,3-dienyl]stannane has a molecular weight of 357.17 g/mol, XLogP of 6.51, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(1E)-3-methylbuta-1,3-dienyl]stannane is sourced from PubChem (CID 15084773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).