tributyl(but-2-ynyl)stannane

C16H32Sn — CID 11824080

IUPACtributyl(but-2-ynyl)stannane
SMILESCC#CC[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/3C4H9.C4H5.Sn/c4*1-3-4-2;/h3*1,3-4H2,2H3;1H2,2H3;
InChIKeyDGTPQVZFCDRGJZ-UHFFFAOYSA-N
MW343.14 g/mol
LogP5.86
Rot. Bonds10

About tributyl(but-2-ynyl)stannane

tributyl(but-2-ynyl)stannane (PubChem CID 11824080) has the molecular formula C16H32Sn and a molecular weight of 343.14 g/mol. Its IUPAC name is tributyl(but-2-ynyl)stannane.

Molecular Properties

Compound Nametributyl(but-2-ynyl)stannane
PubChem CID11824080
Molecular FormulaC16H32Sn
Molecular Weight343.14 g/mol
Exact Mass344.15
IUPAC Nametributyl(but-2-ynyl)stannane
SMILESCC#CC[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/3C4H9.C4H5.Sn/c4*1-3-4-2;/h3*1,3-4H2,2H3;1H2,2H3;
InChIKeyDGTPQVZFCDRGJZ-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.14
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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(but-2-ynyl)stannane?
The IUPAC name of tributyl(but-2-ynyl)stannane (CID 11824080) is tributyl(but-2-ynyl)stannane.
What is the SMILES notation for tributyl(but-2-ynyl)stannane?
The canonical SMILES for tributyl(but-2-ynyl)stannane is CC#CC[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(but-2-ynyl)stannane?
The InChIKey is DGTPQVZFCDRGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.C4H5.Sn/c4*1-3-4-2;/h3*1,3-4H2,2H3;1H2,2H3;.
What are the key properties of tributyl(but-2-ynyl)stannane?
tributyl(but-2-ynyl)stannane has a molecular weight of 343.14 g/mol, XLogP of 5.86, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(but-2-ynyl)stannane is sourced from PubChem (CID 11824080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).