tributyl(chloro)plumbane

C12H27ClPb — CID 25842

IUPACtributyl(chloro)plumbane
SMILESCCCC[Pb](Cl)(CCCC)CCCC
InChIInChI=1S/3C4H9.ClH.Pb/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1
InChIKeyOCQHDJVUUKFOFH-UHFFFAOYSA-M
MW414.00 g/mol
LogP5.57
Rot. Bonds9

About tributyl(chloro)plumbane

tributyl(chloro)plumbane (PubChem CID 25842) has the molecular formula C12H27ClPb and a molecular weight of 414.00 g/mol. Its IUPAC name is tributyl(chloro)plumbane.

Molecular Properties

Compound Nametributyl(chloro)plumbane
PubChem CID25842
Molecular FormulaC12H27ClPb
Molecular Weight414.00 g/mol
Exact Mass414.16
IUPAC Nametributyl(chloro)plumbane
SMILESCCCC[Pb](Cl)(CCCC)CCCC
InChIInChI=1S/3C4H9.ClH.Pb/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1
InChIKeyOCQHDJVUUKFOFH-UHFFFAOYSA-M
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.00
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tributyl(chloro)plumbane?
The IUPAC name of tributyl(chloro)plumbane (CID 25842) is tributyl(chloro)plumbane.
What is the SMILES notation for tributyl(chloro)plumbane?
The canonical SMILES for tributyl(chloro)plumbane is CCCC[Pb](Cl)(CCCC)CCCC.
What is the InChIKey of tributyl(chloro)plumbane?
The InChIKey is OCQHDJVUUKFOFH-UHFFFAOYSA-M. The full InChI is InChI=1S/3C4H9.ClH.Pb/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1.
What are the key properties of tributyl(chloro)plumbane?
tributyl(chloro)plumbane has a molecular weight of 414.00 g/mol, XLogP of 5.57, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(chloro)plumbane is sourced from PubChem (CID 25842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).