tributyl(pent-4-ynyl)stannane

C17H34Sn — CID 86095087

IUPACtributyl(pent-4-ynyl)stannane
SMILESC#CCCC[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C5H7.3C4H9.Sn/c1-3-5-4-2;3*1-3-4-2;/h1H,2,4-5H2;3*1,3-4H2,2H3;
InChIKeyZVQMZFAUPYPRGF-UHFFFAOYSA-N
MW357.17 g/mol
LogP6.25
Rot. Bonds12

About tributyl(pent-4-ynyl)stannane

tributyl(pent-4-ynyl)stannane (PubChem CID 86095087) has the molecular formula C17H34Sn and a molecular weight of 357.17 g/mol. Its IUPAC name is tributyl(pent-4-ynyl)stannane.

Molecular Properties

Compound Nametributyl(pent-4-ynyl)stannane
PubChem CID86095087
Molecular FormulaC17H34Sn
Molecular Weight357.17 g/mol
Exact Mass358.17
IUPAC Nametributyl(pent-4-ynyl)stannane
SMILESC#CCCC[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C5H7.3C4H9.Sn/c1-3-5-4-2;3*1-3-4-2;/h1H,2,4-5H2;3*1,3-4H2,2H3;
InChIKeyZVQMZFAUPYPRGF-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.17
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributyl(pent-4-ynyl)stannane?
The IUPAC name of tributyl(pent-4-ynyl)stannane (CID 86095087) is tributyl(pent-4-ynyl)stannane.
What is the SMILES notation for tributyl(pent-4-ynyl)stannane?
The canonical SMILES for tributyl(pent-4-ynyl)stannane is C#CCCC[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(pent-4-ynyl)stannane?
The InChIKey is ZVQMZFAUPYPRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7.3C4H9.Sn/c1-3-5-4-2;3*1-3-4-2;/h1H,2,4-5H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl(pent-4-ynyl)stannane?
tributyl(pent-4-ynyl)stannane has a molecular weight of 357.17 g/mol, XLogP of 6.25, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(pent-4-ynyl)stannane is sourced from PubChem (CID 86095087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).