bis(lead(2+));phthalate;dihydroxide

C8H6O6Pb2 — CID 102446618

IUPACbis(lead(2+));phthalate;dihydroxide
SMILESO=C([O-])c1ccccc1C(=O)[O-].[OH-].[OH-].[Pb+2].[Pb+2]
InChIInChI=1S/C8H6O4.2H2O.2Pb/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;;/h1-4H,(H,9,10)(H,11,12);2*1H2;;/q;;;2*+2/p-4
InChIKeyBHOYVTCKKXZTEQ-UHFFFAOYSA-J
MW612.53 g/mol
LogP-2.70
Rot. Bonds2

About bis(lead(2+));phthalate;dihydroxide

bis(lead(2+));phthalate;dihydroxide (PubChem CID 102446618) has the molecular formula C8H6O6Pb2 and a molecular weight of 612.53 g/mol. Its IUPAC name is bis(lead(2+));phthalate;dihydroxide.

Molecular Properties

Compound Namebis(lead(2+));phthalate;dihydroxide
PubChem CID102446618
Molecular FormulaC8H6O6Pb2
Molecular Weight612.53 g/mol
Exact Mass613.97
IUPAC Namebis(lead(2+));phthalate;dihydroxide
SMILESO=C([O-])c1ccccc1C(=O)[O-].[OH-].[OH-].[Pb+2].[Pb+2]
InChIInChI=1S/C8H6O4.2H2O.2Pb/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;;/h1-4H,(H,9,10)(H,11,12);2*1H2;;/q;;;2*+2/p-4
InChIKeyBHOYVTCKKXZTEQ-UHFFFAOYSA-J
XLogP-2.70
TPSA140.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.53
LogP ≤ 5-2.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 173427098
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Frequently Asked Questions

What is the IUPAC name of bis(lead(2+));phthalate;dihydroxide?
The IUPAC name of bis(lead(2+));phthalate;dihydroxide (CID 102446618) is bis(lead(2+));phthalate;dihydroxide.
What is the SMILES notation for bis(lead(2+));phthalate;dihydroxide?
The canonical SMILES for bis(lead(2+));phthalate;dihydroxide is O=C([O-])c1ccccc1C(=O)[O-].[OH-].[OH-].[Pb+2].[Pb+2].
What is the InChIKey of bis(lead(2+));phthalate;dihydroxide?
The InChIKey is BHOYVTCKKXZTEQ-UHFFFAOYSA-J. The full InChI is InChI=1S/C8H6O4.2H2O.2Pb/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;;/h1-4H,(H,9,10)(H,11,12);2*1H2;;/q;;;2*+2/p-4.
What are the key properties of bis(lead(2+));phthalate;dihydroxide?
bis(lead(2+));phthalate;dihydroxide has a molecular weight of 612.53 g/mol, XLogP of -2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(lead(2+));phthalate;dihydroxide is sourced from PubChem (CID 102446618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).