tributyl(3-methoxypent-1-ynyl)stannane

C18H36OSn — CID 15383474

IUPACtributyl(3-methoxypent-1-ynyl)stannane
SMILESCCCC[Sn](C#CC(CC)OC)(CCCC)CCCC
InChIInChI=1S/C6H9O.3C4H9.Sn/c1-4-6(5-2)7-3;3*1-3-4-2;/h6H,4H2,1,3H3;3*1,3-4H2,2H3;
InChIKeyHFVUIDDSPBQYHK-UHFFFAOYSA-N
MW387.20 g/mol
LogP5.80
Rot. Bonds11

About tributyl(3-methoxypent-1-ynyl)stannane

tributyl(3-methoxypent-1-ynyl)stannane (PubChem CID 15383474) has the molecular formula C18H36OSn and a molecular weight of 387.20 g/mol. Its IUPAC name is tributyl(3-methoxypent-1-ynyl)stannane.

Molecular Properties

Compound Nametributyl(3-methoxypent-1-ynyl)stannane
PubChem CID15383474
Molecular FormulaC18H36OSn
Molecular Weight387.20 g/mol
Exact Mass388.18
IUPAC Nametributyl(3-methoxypent-1-ynyl)stannane
SMILESCCCC[Sn](C#CC(CC)OC)(CCCC)CCCC
InChIInChI=1S/C6H9O.3C4H9.Sn/c1-4-6(5-2)7-3;3*1-3-4-2;/h6H,4H2,1,3H3;3*1,3-4H2,2H3;
InChIKeyHFVUIDDSPBQYHK-UHFFFAOYSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.20
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributyl(3-methoxypent-1-ynyl)stannane?
The IUPAC name of tributyl(3-methoxypent-1-ynyl)stannane (CID 15383474) is tributyl(3-methoxypent-1-ynyl)stannane.
What is the SMILES notation for tributyl(3-methoxypent-1-ynyl)stannane?
The canonical SMILES for tributyl(3-methoxypent-1-ynyl)stannane is CCCC[Sn](C#CC(CC)OC)(CCCC)CCCC.
What is the InChIKey of tributyl(3-methoxypent-1-ynyl)stannane?
The InChIKey is HFVUIDDSPBQYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O.3C4H9.Sn/c1-4-6(5-2)7-3;3*1-3-4-2;/h6H,4H2,1,3H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl(3-methoxypent-1-ynyl)stannane?
tributyl(3-methoxypent-1-ynyl)stannane has a molecular weight of 387.20 g/mol, XLogP of 5.80, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(3-methoxypent-1-ynyl)stannane is sourced from PubChem (CID 15383474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).