2,4,12,14-tetraoxa-13λ2-plumbatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,16,18-hexaene-11,15-dione

C15H10O6Pb — CID 156787133

IUPAC2,4,12,14-tetraoxa-13λ2-plumbatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,16,18-hexaene-11,15-dione
SMILESO=C1O[Pb]OC(=O)c2ccccc2OCOc2ccccc21
InChIInChI=1S/C15H12O6.Pb/c16-14(17)10-5-1-3-7-12(10)20-9-21-13-8-4-2-6-11(13)15(18)19;/h1-8H,9H2,(H,16,17)(H,18,19);/q;+2/p-2
InChIKeyAEWBWIDOBZBGLO-UHFFFAOYSA-L
MW493.44 g/mol
LogP1.96
Rot. Bonds

About 2,4,12,14-tetraoxa-13λ2-plumbatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,16,18-hexaene-11,15-dione

2,4,12,14-tetraoxa-13λ2-plumbatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,16,18-hexaene-11,15-dione (PubChem CID 156787133) has the molecular formula C15H10O6Pb and a molecular weight of 493.44 g/mol. Its IUPAC name is 2,4,12,14-tetraoxa-13λ2-plumbatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,16,18-hexaene-11,15-dione.

Molecular Properties

Compound Name2,4,12,14-tetraoxa-13λ2-plumbatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,16,18-hexaene-11,15-dione
PubChem CID156787133
Molecular FormulaC15H10O6Pb
Molecular Weight493.44 g/mol
Exact Mass494.02
IUPAC Name2,4,12,14-tetraoxa-13λ2-plumbatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,16,18-hexaene-11,15-dione
SMILESO=C1O[Pb]OC(=O)c2ccccc2OCOc2ccccc21
InChIInChI=1S/C15H12O6.Pb/c16-14(17)10-5-1-3-7-12(10)20-9-21-13-8-4-2-6-11(13)15(18)19;/h1-8H,9H2,(H,16,17)(H,18,19);/q;+2/p-2
InChIKeyAEWBWIDOBZBGLO-UHFFFAOYSA-L
XLogP1.96
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.44
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4,12,14-tetraoxa-13λ2-plumbatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,16,18-hexaene-11,15-dione?
The IUPAC name of 2,4,12,14-tetraoxa-13λ2-plumbatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,16,18-hexaene-11,15-dione (CID 156787133) is 2,4,12,14-tetraoxa-13λ2-plumbatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,16,18-hexaene-11,15-dione.
What is the SMILES notation for 2,4,12,14-tetraoxa-13λ2-plumbatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,16,18-hexaene-11,15-dione?
The canonical SMILES for 2,4,12,14-tetraoxa-13λ2-plumbatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,16,18-hexaene-11,15-dione is O=C1O[Pb]OC(=O)c2ccccc2OCOc2ccccc21.
What is the InChIKey of 2,4,12,14-tetraoxa-13λ2-plumbatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,16,18-hexaene-11,15-dione?
The InChIKey is AEWBWIDOBZBGLO-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H12O6.Pb/c16-14(17)10-5-1-3-7-12(10)20-9-21-13-8-4-2-6-11(13)15(18)19;/h1-8H,9H2,(H,16,17)(H,18,19);/q;+2/p-2.
What are the key properties of 2,4,12,14-tetraoxa-13λ2-plumbatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,16,18-hexaene-11,15-dione?
2,4,12,14-tetraoxa-13λ2-plumbatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,16,18-hexaene-11,15-dione has a molecular weight of 493.44 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,12,14-tetraoxa-13λ2-plumbatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,16,18-hexaene-11,15-dione is sourced from PubChem (CID 156787133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).