tricyclohexylplumbane

C18H34Pb — CID 4177825

IUPACtricyclohexylplumbane
SMILESC1CCC([PbH](C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/3C6H11.Pb.H/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;;
InChIKeySCOSWXURJCHAMB-UHFFFAOYSA-N
MW457.67 g/mol
LogP6.22
Rot. Bonds3

About tricyclohexylplumbane

tricyclohexylplumbane (PubChem CID 4177825) has the molecular formula C18H34Pb and a molecular weight of 457.67 g/mol. Its IUPAC name is tricyclohexylplumbane.

Molecular Properties

Compound Nametricyclohexylplumbane
PubChem CID4177825
Molecular FormulaC18H34Pb
Molecular Weight457.67 g/mol
Exact Mass458.24
IUPAC Nametricyclohexylplumbane
SMILESC1CCC([PbH](C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/3C6H11.Pb.H/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;;
InChIKeySCOSWXURJCHAMB-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.67
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tricyclohexylplumbane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tricyclohexylplumbane?
The IUPAC name of tricyclohexylplumbane (CID 4177825) is tricyclohexylplumbane.
What is the SMILES notation for tricyclohexylplumbane?
The canonical SMILES for tricyclohexylplumbane is C1CCC([PbH](C2CCCCC2)C2CCCCC2)CC1.
What is the InChIKey of tricyclohexylplumbane?
The InChIKey is SCOSWXURJCHAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H11.Pb.H/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;;.
What are the key properties of tricyclohexylplumbane?
tricyclohexylplumbane has a molecular weight of 457.67 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclohexylplumbane is sourced from PubChem (CID 4177825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).