[dodecanoyloxy(diphenyl)plumbyl] dodecanoate

C36H56O4Pb — CID 16684375

IUPAC[dodecanoyloxy(diphenyl)plumbyl] dodecanoate
SMILESCCCCCCCCCCCC(=O)O[Pb](OC(=O)CCCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C12H24O2.2C6H5.Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-2-4-6-5-3-1;/h2*2-11H2,1H3,(H,13,14);2*1-5H;/q;;;;+2/p-2
InChIKeyBMYRXGDFTBLSHC-UHFFFAOYSA-L
MW760.04 g/mol
LogP9.17
Rot. Bonds24

About [dodecanoyloxy(diphenyl)plumbyl] dodecanoate

[dodecanoyloxy(diphenyl)plumbyl] dodecanoate (PubChem CID 16684375) has the molecular formula C36H56O4Pb and a molecular weight of 760.04 g/mol. Its IUPAC name is [dodecanoyloxy(diphenyl)plumbyl] dodecanoate.

Molecular Properties

Compound Name[dodecanoyloxy(diphenyl)plumbyl] dodecanoate
PubChem CID16684375
Molecular FormulaC36H56O4Pb
Molecular Weight760.04 g/mol
Exact Mass760.39
IUPAC Name[dodecanoyloxy(diphenyl)plumbyl] dodecanoate
SMILESCCCCCCCCCCCC(=O)O[Pb](OC(=O)CCCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C12H24O2.2C6H5.Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-2-4-6-5-3-1;/h2*2-11H2,1H3,(H,13,14);2*1-5H;/q;;;;+2/p-2
InChIKeyBMYRXGDFTBLSHC-UHFFFAOYSA-L
XLogP9.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.04
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [dodecanoyloxy(diphenyl)plumbyl] dodecanoate?
The IUPAC name of [dodecanoyloxy(diphenyl)plumbyl] dodecanoate (CID 16684375) is [dodecanoyloxy(diphenyl)plumbyl] dodecanoate.
What is the SMILES notation for [dodecanoyloxy(diphenyl)plumbyl] dodecanoate?
The canonical SMILES for [dodecanoyloxy(diphenyl)plumbyl] dodecanoate is CCCCCCCCCCCC(=O)O[Pb](OC(=O)CCCCCCCCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of [dodecanoyloxy(diphenyl)plumbyl] dodecanoate?
The InChIKey is BMYRXGDFTBLSHC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H24O2.2C6H5.Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-2-4-6-5-3-1;/h2*2-11H2,1H3,(H,13,14);2*1-5H;/q;;;;+2/p-2.
What are the key properties of [dodecanoyloxy(diphenyl)plumbyl] dodecanoate?
[dodecanoyloxy(diphenyl)plumbyl] dodecanoate has a molecular weight of 760.04 g/mol, XLogP of 9.17, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dodecanoyloxy(diphenyl)plumbyl] dodecanoate is sourced from PubChem (CID 16684375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).