barium(2+);lead(2+);tetrakis(prop-2-enoate)

C12H12BaO8Pb — CID 159431498

IUPACbarium(2+);lead(2+);tetrakis(prop-2-enoate)
SMILESC=CC(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].[Ba+2].[Pb+2]
InChIInChI=1S/4C3H4O2.Ba.Pb/c4*1-2-3(4)5;;/h4*2H,1H2,(H,4,5);;/q;;;;2*+2/p-4
InChIKeyLRARBSJTTIOKKJ-UHFFFAOYSA-J
MW628.75 g/mol
LogP-5.07
Rot. Bonds4

About barium(2+);lead(2+);tetrakis(prop-2-enoate)

barium(2+);lead(2+);tetrakis(prop-2-enoate) (PubChem CID 159431498) has the molecular formula C12H12BaO8Pb and a molecular weight of 628.75 g/mol. Its IUPAC name is barium(2+);lead(2+);tetrakis(prop-2-enoate).

Molecular Properties

Compound Namebarium(2+);lead(2+);tetrakis(prop-2-enoate)
PubChem CID159431498
Molecular FormulaC12H12BaO8Pb
Molecular Weight628.75 g/mol
Exact Mass629.94
IUPAC Namebarium(2+);lead(2+);tetrakis(prop-2-enoate)
SMILESC=CC(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].[Ba+2].[Pb+2]
InChIInChI=1S/4C3H4O2.Ba.Pb/c4*1-2-3(4)5;;/h4*2H,1H2,(H,4,5);;/q;;;;2*+2/p-4
InChIKeyLRARBSJTTIOKKJ-UHFFFAOYSA-J
XLogP-5.07
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500628.75
LogP ≤ 5-5.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of barium(2+);lead(2+);tetrakis(prop-2-enoate)?
The IUPAC name of barium(2+);lead(2+);tetrakis(prop-2-enoate) (CID 159431498) is barium(2+);lead(2+);tetrakis(prop-2-enoate).
What is the SMILES notation for barium(2+);lead(2+);tetrakis(prop-2-enoate)?
The canonical SMILES for barium(2+);lead(2+);tetrakis(prop-2-enoate) is C=CC(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].[Ba+2].[Pb+2].
What is the InChIKey of barium(2+);lead(2+);tetrakis(prop-2-enoate)?
The InChIKey is LRARBSJTTIOKKJ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C3H4O2.Ba.Pb/c4*1-2-3(4)5;;/h4*2H,1H2,(H,4,5);;/q;;;;2*+2/p-4.
What are the key properties of barium(2+);lead(2+);tetrakis(prop-2-enoate)?
barium(2+);lead(2+);tetrakis(prop-2-enoate) has a molecular weight of 628.75 g/mol, XLogP of -5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);lead(2+);tetrakis(prop-2-enoate) is sourced from PubChem (CID 159431498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).