tributyl(2-cyclobutylethynyl)stannane

C18H34Sn — CID 70009182

IUPACtributyl(2-cyclobutylethynyl)stannane
SMILESCCCC[Sn](C#CC1CCC1)(CCCC)CCCC
InChIInChI=1S/C6H7.3C4H9.Sn/c1-2-6-4-3-5-6;3*1-3-4-2;/h6H,3-5H2;3*1,3-4H2,2H3;
InChIKeyQIFSWOJNWYVEJM-UHFFFAOYSA-N
MW369.18 g/mol
LogP6.18
Rot. Bonds9

About tributyl(2-cyclobutylethynyl)stannane

tributyl(2-cyclobutylethynyl)stannane (PubChem CID 70009182) has the molecular formula C18H34Sn and a molecular weight of 369.18 g/mol. Its IUPAC name is tributyl(2-cyclobutylethynyl)stannane.

Molecular Properties

Compound Nametributyl(2-cyclobutylethynyl)stannane
PubChem CID70009182
Molecular FormulaC18H34Sn
Molecular Weight369.18 g/mol
Exact Mass370.17
IUPAC Nametributyl(2-cyclobutylethynyl)stannane
SMILESCCCC[Sn](C#CC1CCC1)(CCCC)CCCC
InChIInChI=1S/C6H7.3C4H9.Sn/c1-2-6-4-3-5-6;3*1-3-4-2;/h6H,3-5H2;3*1,3-4H2,2H3;
InChIKeyQIFSWOJNWYVEJM-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.18
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tributyl(6-tributylstannylhexa-1,5-diynyl)stannane
CID 15733956
cis-(1R,2S)-2-(3-tributylstannylprop-2-ynyl)cyclohexan-1-ol
CID 177468630
tributyl-[2-[(1S,6S)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]stannane
CID 124919059
dodec-1-ynylcycloheptane
CID 11579803
5-(3-pentyloct-1-ynyl)cyclododecan-1-amine
CID 67556114
heptane;methoxymethane;methylcyclobutane
CID 168881474
tributyl-(2-methylpyrrolidin-1-yl)stannane
CID 67437115
butane;bis(hexane);bis(methylcyclopentane)
CID 162195101
3-propylhex-1-ynylcyclohexane
CID 174832494
tributyl-[(2S)-pyrrolidin-2-yl]stannane
CID 14936914
1-heptyl-4-[2-(4-propylcyclohexyl)ethynyl]cyclohexane
CID 19985111
1-pentyl-4-prop-1-ynylcyclohexane
CID 90984022

Frequently Asked Questions

What is the IUPAC name of tributyl(2-cyclobutylethynyl)stannane?
The IUPAC name of tributyl(2-cyclobutylethynyl)stannane (CID 70009182) is tributyl(2-cyclobutylethynyl)stannane.
What is the SMILES notation for tributyl(2-cyclobutylethynyl)stannane?
The canonical SMILES for tributyl(2-cyclobutylethynyl)stannane is CCCC[Sn](C#CC1CCC1)(CCCC)CCCC.
What is the InChIKey of tributyl(2-cyclobutylethynyl)stannane?
The InChIKey is QIFSWOJNWYVEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7.3C4H9.Sn/c1-2-6-4-3-5-6;3*1-3-4-2;/h6H,3-5H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl(2-cyclobutylethynyl)stannane?
tributyl(2-cyclobutylethynyl)stannane has a molecular weight of 369.18 g/mol, XLogP of 6.18, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(2-cyclobutylethynyl)stannane is sourced from PubChem (CID 70009182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).