tetrabutyl(but-2-ynyl)-lambda5-stibane

C20H41Sb — CID 15001306

IUPACtetrabutyl(but-2-ynyl)-lambda5-stibane
SMILESCC#CC[Sb](CCCC)(CCCC)(CCCC)CCCC
InChIInChI=1S/4C4H9.C4H5.Sb/c5*1-3-4-2;/h4*1,3-4H2,2H3;1H2,2H3;
InChIKeyDJOGATMJKPEHHT-UHFFFAOYSA-N
MW403.31 g/mol
LogP7.61
Rot. Bonds13

About tetrabutyl(but-2-ynyl)-lambda5-stibane

tetrabutyl(but-2-ynyl)-lambda5-stibane (PubChem CID 15001306) has the molecular formula C20H41Sb and a molecular weight of 403.31 g/mol. Its IUPAC name is tetrabutyl(but-2-ynyl)-lambda5-stibane.

Molecular Properties

Compound Nametetrabutyl(but-2-ynyl)-lambda5-stibane
PubChem CID15001306
Molecular FormulaC20H41Sb
Molecular Weight403.31 g/mol
Exact Mass402.22
IUPAC Nametetrabutyl(but-2-ynyl)-lambda5-stibane
SMILESCC#CC[Sb](CCCC)(CCCC)(CCCC)CCCC
InChIInChI=1S/4C4H9.C4H5.Sb/c5*1-3-4-2;/h4*1,3-4H2,2H3;1H2,2H3;
InChIKeyDJOGATMJKPEHHT-UHFFFAOYSA-N
XLogP7.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.31
LogP ≤ 57.61
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 tetrabutyl(but-2-ynyl)-lambda5-stibane?
The IUPAC name of tetrabutyl(but-2-ynyl)-lambda5-stibane (CID 15001306) is tetrabutyl(but-2-ynyl)-lambda5-stibane.
What is the SMILES notation for tetrabutyl(but-2-ynyl)-lambda5-stibane?
The canonical SMILES for tetrabutyl(but-2-ynyl)-lambda5-stibane is CC#CC[Sb](CCCC)(CCCC)(CCCC)CCCC.
What is the InChIKey of tetrabutyl(but-2-ynyl)-lambda5-stibane?
The InChIKey is DJOGATMJKPEHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H9.C4H5.Sb/c5*1-3-4-2;/h4*1,3-4H2,2H3;1H2,2H3;.
What are the key properties of tetrabutyl(but-2-ynyl)-lambda5-stibane?
tetrabutyl(but-2-ynyl)-lambda5-stibane has a molecular weight of 403.31 g/mol, XLogP of 7.61, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrabutyl(but-2-ynyl)-lambda5-stibane is sourced from PubChem (CID 15001306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).