tris[(2,6-dimethoxybenzoyl)oxy]plumbyl 2,6-dimethoxybenzoate

C36H36O16Pb — CID 16688900

IUPACtris[(2,6-dimethoxybenzoyl)oxy]plumbyl 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)O[Pb](OC(=O)c1c(OC)cccc1OC)(OC(=O)c1c(OC)cccc1OC)OC(=O)c1c(OC)cccc1OC
InChIInChI=1S/4C9H10O4.Pb/c4*1-12-6-4-3-5-7(13-2)8(6)9(10)11;/h4*3-5H,1-2H3,(H,10,11);/q;;;;+4/p-4
InChIKeyBJWFLODWBDFKTE-UHFFFAOYSA-J
MW931.87 g/mol
LogP4.92
Rot. Bonds16

About tris[(2,6-dimethoxybenzoyl)oxy]plumbyl 2,6-dimethoxybenzoate

tris[(2,6-dimethoxybenzoyl)oxy]plumbyl 2,6-dimethoxybenzoate (PubChem CID 16688900) has the molecular formula C36H36O16Pb and a molecular weight of 931.87 g/mol. Its IUPAC name is tris[(2,6-dimethoxybenzoyl)oxy]plumbyl 2,6-dimethoxybenzoate.

Molecular Properties

Compound Nametris[(2,6-dimethoxybenzoyl)oxy]plumbyl 2,6-dimethoxybenzoate
PubChem CID16688900
Molecular FormulaC36H36O16Pb
Molecular Weight931.87 g/mol
Exact Mass932.18
IUPAC Nametris[(2,6-dimethoxybenzoyl)oxy]plumbyl 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)O[Pb](OC(=O)c1c(OC)cccc1OC)(OC(=O)c1c(OC)cccc1OC)OC(=O)c1c(OC)cccc1OC
InChIInChI=1S/4C9H10O4.Pb/c4*1-12-6-4-3-5-7(13-2)8(6)9(10)11;/h4*3-5H,1-2H3,(H,10,11);/q;;;;+4/p-4
InChIKeyBJWFLODWBDFKTE-UHFFFAOYSA-J
XLogP4.92
TPSA179.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.87
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Related Compounds

acetyl 2,6-dimethoxybenzoate
CID 57154954
3-(2,6-dimethoxybenzoyl)oxypropyl 2,6-dimethoxybenzoate
CID 4829079
methyl 2-methoxy-6-methoxycarbonyloxybenzoate
CID 174850482
(2-acetyl-3-methoxyphenyl) acetate
CID 15090735
[(1S)-1-cyanoethyl] 2,6-dimethoxybenzoate
CID 2513611
methyl 2-iodo-6-methoxybenzoate
CID 91882308
(4-acetylphenyl) 2,6-dimethoxybenzoate
CID 795776
bis(2,6-dimethoxybenzoyl)phosphinothioyl-(2,6-dimethoxyphenyl)methanone
CID 54513060
2,6-dimethoxybenzohydrazide
CID 2806104
methyl 2-[(dimethylamino)methyl]-6-methoxybenzoate
CID 23258118
butan-2-yl 2,6-dimethoxybenzenecarboperoxoate
CID 173266233
(3,5-dibromobenzoyl) 2,6-dimethoxybenzoate
CID 174580615

Frequently Asked Questions

What is the IUPAC name of tris[(2,6-dimethoxybenzoyl)oxy]plumbyl 2,6-dimethoxybenzoate?
The IUPAC name of tris[(2,6-dimethoxybenzoyl)oxy]plumbyl 2,6-dimethoxybenzoate (CID 16688900) is tris[(2,6-dimethoxybenzoyl)oxy]plumbyl 2,6-dimethoxybenzoate.
What is the SMILES notation for tris[(2,6-dimethoxybenzoyl)oxy]plumbyl 2,6-dimethoxybenzoate?
The canonical SMILES for tris[(2,6-dimethoxybenzoyl)oxy]plumbyl 2,6-dimethoxybenzoate is COc1cccc(OC)c1C(=O)O[Pb](OC(=O)c1c(OC)cccc1OC)(OC(=O)c1c(OC)cccc1OC)OC(=O)c1c(OC)cccc1OC.
What is the InChIKey of tris[(2,6-dimethoxybenzoyl)oxy]plumbyl 2,6-dimethoxybenzoate?
The InChIKey is BJWFLODWBDFKTE-UHFFFAOYSA-J. The full InChI is InChI=1S/4C9H10O4.Pb/c4*1-12-6-4-3-5-7(13-2)8(6)9(10)11;/h4*3-5H,1-2H3,(H,10,11);/q;;;;+4/p-4.
What are the key properties of tris[(2,6-dimethoxybenzoyl)oxy]plumbyl 2,6-dimethoxybenzoate?
tris[(2,6-dimethoxybenzoyl)oxy]plumbyl 2,6-dimethoxybenzoate has a molecular weight of 931.87 g/mol, XLogP of 4.92, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(2,6-dimethoxybenzoyl)oxy]plumbyl 2,6-dimethoxybenzoate is sourced from PubChem (CID 16688900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).