tributyl-[cyclohexyl(methoxy)methyl]plumbane

C20H42OPb — CID 14761896

IUPACtributyl-[cyclohexyl(methoxy)methyl]plumbane
SMILESCCCC[Pb](CCCC)(CCCC)C(OC)C1CCCCC1
InChIInChI=1S/C8H15O.3C4H9.Pb/c1-9-7-8-5-3-2-4-6-8;3*1-3-4-2;/h7-8H,2-6H2,1H3;3*1,3-4H2,2H3;
InChIKeyJOYQSZOSKZAUIP-UHFFFAOYSA-N
MW505.76 g/mol
LogP6.97
Rot. Bonds12

About tributyl-[cyclohexyl(methoxy)methyl]plumbane

tributyl-[cyclohexyl(methoxy)methyl]plumbane (PubChem CID 14761896) has the molecular formula C20H42OPb and a molecular weight of 505.76 g/mol. Its IUPAC name is tributyl-[cyclohexyl(methoxy)methyl]plumbane.

Molecular Properties

Compound Nametributyl-[cyclohexyl(methoxy)methyl]plumbane
PubChem CID14761896
Molecular FormulaC20H42OPb
Molecular Weight505.76 g/mol
Exact Mass506.30
IUPAC Nametributyl-[cyclohexyl(methoxy)methyl]plumbane
SMILESCCCC[Pb](CCCC)(CCCC)C(OC)C1CCCCC1
InChIInChI=1S/C8H15O.3C4H9.Pb/c1-9-7-8-5-3-2-4-6-8;3*1-3-4-2;/h7-8H,2-6H2,1H3;3*1,3-4H2,2H3;
InChIKeyJOYQSZOSKZAUIP-UHFFFAOYSA-N
XLogP6.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.76
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tributyl-[cyclohexyl(methoxy)methyl]plumbane?
The IUPAC name of tributyl-[cyclohexyl(methoxy)methyl]plumbane (CID 14761896) is tributyl-[cyclohexyl(methoxy)methyl]plumbane.
What is the SMILES notation for tributyl-[cyclohexyl(methoxy)methyl]plumbane?
The canonical SMILES for tributyl-[cyclohexyl(methoxy)methyl]plumbane is CCCC[Pb](CCCC)(CCCC)C(OC)C1CCCCC1.
What is the InChIKey of tributyl-[cyclohexyl(methoxy)methyl]plumbane?
The InChIKey is JOYQSZOSKZAUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O.3C4H9.Pb/c1-9-7-8-5-3-2-4-6-8;3*1-3-4-2;/h7-8H,2-6H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[cyclohexyl(methoxy)methyl]plumbane?
tributyl-[cyclohexyl(methoxy)methyl]plumbane has a molecular weight of 505.76 g/mol, XLogP of 6.97, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[cyclohexyl(methoxy)methyl]plumbane is sourced from PubChem (CID 14761896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).