tributyl(3,3-diethoxyprop-1-ynyl)stannane

C19H38O2Sn — CID 12764991

IUPACtributyl(3,3-diethoxyprop-1-ynyl)stannane
SMILESCCCC[Sn](C#CC(OCC)OCC)(CCCC)CCCC
InChIInChI=1S/C7H11O2.3C4H9.Sn/c1-4-7(8-5-2)9-6-3;3*1-3-4-2;/h7H,5-6H2,2-3H3;3*1,3-4H2,2H3;
InChIKeyJBPGTOGEUMAPOI-UHFFFAOYSA-N
MW417.22 g/mol
LogP5.78
Rot. Bonds13

About tributyl(3,3-diethoxyprop-1-ynyl)stannane

tributyl(3,3-diethoxyprop-1-ynyl)stannane (PubChem CID 12764991) has the molecular formula C19H38O2Sn and a molecular weight of 417.22 g/mol. Its IUPAC name is tributyl(3,3-diethoxyprop-1-ynyl)stannane.

Molecular Properties

Compound Nametributyl(3,3-diethoxyprop-1-ynyl)stannane
PubChem CID12764991
Molecular FormulaC19H38O2Sn
Molecular Weight417.22 g/mol
Exact Mass418.19
IUPAC Nametributyl(3,3-diethoxyprop-1-ynyl)stannane
SMILESCCCC[Sn](C#CC(OCC)OCC)(CCCC)CCCC
InChIInChI=1S/C7H11O2.3C4H9.Sn/c1-4-7(8-5-2)9-6-3;3*1-3-4-2;/h7H,5-6H2,2-3H3;3*1,3-4H2,2H3;
InChIKeyJBPGTOGEUMAPOI-UHFFFAOYSA-N
XLogP5.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.22
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tributyl(6-tributylstannylhexa-1,5-diynyl)stannane
CID 15733956
tributyl(diethoxymethyl)stannane
CID 4197765
tributyl(1-ethoxypentyl)stannane
CID 87709895
tributyl(1-ethoxyethyl)stannane
CID 10926565
methyl (Z)-5-tributylstannylpent-2-en-4-ynoate
CID 177462533
1,1-diethoxy-4,4-difluorotridec-2-yne
CID 71605813
tributyl-[(E)-4,4-diethoxybut-1-enyl]stannane
CID 10574786
tributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane
CID 14592139
tributyl-[(E)-3-ethoxybut-1-enyl]stannane
CID 10340261
tributyl(2-cyclobutylethynyl)stannane
CID 70009182
4-(1-ethoxypentadec-2-ynoxy)butan-1-ol
CID 15003163
6,6-diethoxyhex-4-yn-3-one
CID 86671264

Frequently Asked Questions

What is the IUPAC name of tributyl(3,3-diethoxyprop-1-ynyl)stannane?
The IUPAC name of tributyl(3,3-diethoxyprop-1-ynyl)stannane (CID 12764991) is tributyl(3,3-diethoxyprop-1-ynyl)stannane.
What is the SMILES notation for tributyl(3,3-diethoxyprop-1-ynyl)stannane?
The canonical SMILES for tributyl(3,3-diethoxyprop-1-ynyl)stannane is CCCC[Sn](C#CC(OCC)OCC)(CCCC)CCCC.
What is the InChIKey of tributyl(3,3-diethoxyprop-1-ynyl)stannane?
The InChIKey is JBPGTOGEUMAPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O2.3C4H9.Sn/c1-4-7(8-5-2)9-6-3;3*1-3-4-2;/h7H,5-6H2,2-3H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl(3,3-diethoxyprop-1-ynyl)stannane?
tributyl(3,3-diethoxyprop-1-ynyl)stannane has a molecular weight of 417.22 g/mol, XLogP of 5.78, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(3,3-diethoxyprop-1-ynyl)stannane is sourced from PubChem (CID 12764991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).