1-[dibutyl(ethynyl)stannyl]butyl-trimethylsilane

C17H36SiSn — CID 158104973

IUPAC1-[dibutyl(ethynyl)stannyl]butyl-trimethylsilane
SMILESC#C[Sn](CCCC)(CCCC)C(CCC)[Si](C)(C)C
InChIInChI=1S/C7H17Si.2C4H9.C2H.Sn/c1-5-6-7-8(2,3)4;2*1-3-4-2;1-2;/h7H,5-6H2,1-4H3;2*1,3-4H2,2H3;1H;
InChIKeyFPSJTMRQYLDLCE-UHFFFAOYSA-N
MW387.27 g/mol
LogP6.26
Rot. Bonds10

About 1-[dibutyl(ethynyl)stannyl]butyl-trimethylsilane

1-[dibutyl(ethynyl)stannyl]butyl-trimethylsilane (PubChem CID 158104973) has the molecular formula C17H36SiSn and a molecular weight of 387.27 g/mol. Its IUPAC name is 1-[dibutyl(ethynyl)stannyl]butyl-trimethylsilane.

Molecular Properties

Compound Name1-[dibutyl(ethynyl)stannyl]butyl-trimethylsilane
PubChem CID158104973
Molecular FormulaC17H36SiSn
Molecular Weight387.27 g/mol
Exact Mass388.16
IUPAC Name1-[dibutyl(ethynyl)stannyl]butyl-trimethylsilane
SMILESC#C[Sn](CCCC)(CCCC)C(CCC)[Si](C)(C)C
InChIInChI=1S/C7H17Si.2C4H9.C2H.Sn/c1-5-6-7-8(2,3)4;2*1-3-4-2;1-2;/h7H,5-6H2,1-4H3;2*1,3-4H2,2H3;1H;
InChIKeyFPSJTMRQYLDLCE-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.27
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[dibutyl(ethynyl)stannyl]butyl-trimethylsilane?
The IUPAC name of 1-[dibutyl(ethynyl)stannyl]butyl-trimethylsilane (CID 158104973) is 1-[dibutyl(ethynyl)stannyl]butyl-trimethylsilane.
What is the SMILES notation for 1-[dibutyl(ethynyl)stannyl]butyl-trimethylsilane?
The canonical SMILES for 1-[dibutyl(ethynyl)stannyl]butyl-trimethylsilane is C#C[Sn](CCCC)(CCCC)C(CCC)[Si](C)(C)C.
What is the InChIKey of 1-[dibutyl(ethynyl)stannyl]butyl-trimethylsilane?
The InChIKey is FPSJTMRQYLDLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17Si.2C4H9.C2H.Sn/c1-5-6-7-8(2,3)4;2*1-3-4-2;1-2;/h7H,5-6H2,1-4H3;2*1,3-4H2,2H3;1H;.
What are the key properties of 1-[dibutyl(ethynyl)stannyl]butyl-trimethylsilane?
1-[dibutyl(ethynyl)stannyl]butyl-trimethylsilane has a molecular weight of 387.27 g/mol, XLogP of 6.26, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dibutyl(ethynyl)stannyl]butyl-trimethylsilane is sourced from PubChem (CID 158104973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).