[diacetyloxy-(2,6-dimethyl-4-phenylphenyl)plumbyl] acetate

C20H22O6Pb — CID 59450494

IUPAC[diacetyloxy-(2,6-dimethyl-4-phenylphenyl)plumbyl] acetate
SMILESCC(=O)O[Pb](OC(C)=O)(OC(C)=O)c1c(C)cc(-c2ccccc2)cc1C
InChIInChI=1S/C14H13.3C2H4O2.Pb/c1-11-8-12(2)10-14(9-11)13-6-4-3-5-7-13;3*1-2(3)4;/h3-7,9-10H,1-2H3;3*1H3,(H,3,4);/q;;;;+3/p-3
InChIKeyIJZWYHFLJALAMC-UHFFFAOYSA-K
MW565.59 g/mol
LogP2.81
Rot. Bonds5

About [diacetyloxy-(2,6-dimethyl-4-phenylphenyl)plumbyl] acetate

[diacetyloxy-(2,6-dimethyl-4-phenylphenyl)plumbyl] acetate (PubChem CID 59450494) has the molecular formula C20H22O6Pb and a molecular weight of 565.59 g/mol. Its IUPAC name is [diacetyloxy-(2,6-dimethyl-4-phenylphenyl)plumbyl] acetate.

Molecular Properties

Compound Name[diacetyloxy-(2,6-dimethyl-4-phenylphenyl)plumbyl] acetate
PubChem CID59450494
Molecular FormulaC20H22O6Pb
Molecular Weight565.59 g/mol
Exact Mass566.12
IUPAC Name[diacetyloxy-(2,6-dimethyl-4-phenylphenyl)plumbyl] acetate
SMILESCC(=O)O[Pb](OC(C)=O)(OC(C)=O)c1c(C)cc(-c2ccccc2)cc1C
InChIInChI=1S/C14H13.3C2H4O2.Pb/c1-11-8-12(2)10-14(9-11)13-6-4-3-5-7-13;3*1-2(3)4;/h3-7,9-10H,1-2H3;3*1H3,(H,3,4);/q;;;;+3/p-3
InChIKeyIJZWYHFLJALAMC-UHFFFAOYSA-K
XLogP2.81
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.59
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [diacetyloxy-(2,6-dimethyl-4-phenylphenyl)plumbyl] acetate 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 [diacetyloxy-(2,6-dimethyl-4-phenylphenyl)plumbyl] acetate?
The IUPAC name of [diacetyloxy-(2,6-dimethyl-4-phenylphenyl)plumbyl] acetate (CID 59450494) is [diacetyloxy-(2,6-dimethyl-4-phenylphenyl)plumbyl] acetate.
What is the SMILES notation for [diacetyloxy-(2,6-dimethyl-4-phenylphenyl)plumbyl] acetate?
The canonical SMILES for [diacetyloxy-(2,6-dimethyl-4-phenylphenyl)plumbyl] acetate is CC(=O)O[Pb](OC(C)=O)(OC(C)=O)c1c(C)cc(-c2ccccc2)cc1C.
What is the InChIKey of [diacetyloxy-(2,6-dimethyl-4-phenylphenyl)plumbyl] acetate?
The InChIKey is IJZWYHFLJALAMC-UHFFFAOYSA-K. The full InChI is InChI=1S/C14H13.3C2H4O2.Pb/c1-11-8-12(2)10-14(9-11)13-6-4-3-5-7-13;3*1-2(3)4;/h3-7,9-10H,1-2H3;3*1H3,(H,3,4);/q;;;;+3/p-3.
What are the key properties of [diacetyloxy-(2,6-dimethyl-4-phenylphenyl)plumbyl] acetate?
[diacetyloxy-(2,6-dimethyl-4-phenylphenyl)plumbyl] acetate has a molecular weight of 565.59 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy-(2,6-dimethyl-4-phenylphenyl)plumbyl] acetate is sourced from PubChem (CID 59450494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).