3,5,7,9-tetraoxa-4λ2,6λ2,8λ2-triplumbabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione

C8H4O6Pb3 — CID 16684029

IUPAC3,5,7,9-tetraoxa-4λ2,6λ2,8λ2-triplumbabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione
SMILESO=C1O[Pb]O[Pb]O[Pb]OC(=O)c2ccccc21
InChIInChI=1S/C8H6O4.2O.3Pb/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;;;/h1-4H,(H,9,10)(H,11,12);;;;;/q;;;;2*+1/p-2
InChIKeyNKQZGKXBBHMXPR-UHFFFAOYSA-L
MW817.71 g/mol
LogP-0.35
Rot. Bonds

About 3,5,7,9-tetraoxa-4λ2,6λ2,8λ2-triplumbabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione

3,5,7,9-tetraoxa-4λ2,6λ2,8λ2-triplumbabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione (PubChem CID 16684029) has the molecular formula C8H4O6Pb3 and a molecular weight of 817.71 g/mol. Its IUPAC name is 3,5,7,9-tetraoxa-4λ2,6λ2,8λ2-triplumbabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione.

Molecular Properties

Compound Name3,5,7,9-tetraoxa-4λ2,6λ2,8λ2-triplumbabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione
PubChem CID16684029
Molecular FormulaC8H4O6Pb3
Molecular Weight817.71 g/mol
Exact Mass819.93
IUPAC Name3,5,7,9-tetraoxa-4λ2,6λ2,8λ2-triplumbabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione
SMILESO=C1O[Pb]O[Pb]O[Pb]OC(=O)c2ccccc21
InChIInChI=1S/C8H6O4.2O.3Pb/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;;;/h1-4H,(H,9,10)(H,11,12);;;;;/q;;;;2*+1/p-2
InChIKeyNKQZGKXBBHMXPR-UHFFFAOYSA-L
XLogP-0.35
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500817.71
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5,7,9-tetraoxa-4λ2,6λ2,8λ2-triplumbabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione?
The IUPAC name of 3,5,7,9-tetraoxa-4λ2,6λ2,8λ2-triplumbabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione (CID 16684029) is 3,5,7,9-tetraoxa-4λ2,6λ2,8λ2-triplumbabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione.
What is the SMILES notation for 3,5,7,9-tetraoxa-4λ2,6λ2,8λ2-triplumbabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione?
The canonical SMILES for 3,5,7,9-tetraoxa-4λ2,6λ2,8λ2-triplumbabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione is O=C1O[Pb]O[Pb]O[Pb]OC(=O)c2ccccc21.
What is the InChIKey of 3,5,7,9-tetraoxa-4λ2,6λ2,8λ2-triplumbabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione?
The InChIKey is NKQZGKXBBHMXPR-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H6O4.2O.3Pb/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;;;/h1-4H,(H,9,10)(H,11,12);;;;;/q;;;;2*+1/p-2.
What are the key properties of 3,5,7,9-tetraoxa-4λ2,6λ2,8λ2-triplumbabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione?
3,5,7,9-tetraoxa-4λ2,6λ2,8λ2-triplumbabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione has a molecular weight of 817.71 g/mol, XLogP of -0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7,9-tetraoxa-4λ2,6λ2,8λ2-triplumbabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione is sourced from PubChem (CID 16684029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).