lead(2+);bis(tridecanoate)

C26H50O4Pb — CID 6432480

IUPAClead(2+);bis(tridecanoate)
SMILESCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCC(=O)[O-].[Pb+2]
InChIInChI=1S/2C13H26O2.Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13(14)15;/h2*2-12H2,1H3,(H,14,15);/q;;+2/p-2
InChIKeySMBNZXAACBVEMO-UHFFFAOYSA-L
MW633.88 g/mol
LogP5.71
Rot. Bonds22

About lead(2+);bis(tridecanoate)

lead(2+);bis(tridecanoate) (PubChem CID 6432480) has the molecular formula C26H50O4Pb and a molecular weight of 633.88 g/mol. Its IUPAC name is lead(2+);bis(tridecanoate).

Molecular Properties

Compound Namelead(2+);bis(tridecanoate)
PubChem CID6432480
Molecular FormulaC26H50O4Pb
Molecular Weight633.88 g/mol
Exact Mass634.35
IUPAC Namelead(2+);bis(tridecanoate)
SMILESCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCC(=O)[O-].[Pb+2]
InChIInChI=1S/2C13H26O2.Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13(14)15;/h2*2-12H2,1H3,(H,14,15);/q;;+2/p-2
InChIKeySMBNZXAACBVEMO-UHFFFAOYSA-L
XLogP5.71
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.88
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
decanoate;lanthanum(3+)
CID 21139452
calcium;hexadecanoate;octadecanoate
CID 22065418
bis(undecanoate);zirconium(2+)
CID 18995554
manganese(2+);bis(tricosanoate)
CID 100951425
tetrakis(octadecanoate);thorium(4+)
CID 160802738

Frequently Asked Questions

What is the IUPAC name of lead(2+);bis(tridecanoate)?
The IUPAC name of lead(2+);bis(tridecanoate) (CID 6432480) is lead(2+);bis(tridecanoate).
What is the SMILES notation for lead(2+);bis(tridecanoate)?
The canonical SMILES for lead(2+);bis(tridecanoate) is CCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCC(=O)[O-].[Pb+2].
What is the InChIKey of lead(2+);bis(tridecanoate)?
The InChIKey is SMBNZXAACBVEMO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H26O2.Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13(14)15;/h2*2-12H2,1H3,(H,14,15);/q;;+2/p-2.
What are the key properties of lead(2+);bis(tridecanoate)?
lead(2+);bis(tridecanoate) has a molecular weight of 633.88 g/mol, XLogP of 5.71, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lead(2+);bis(tridecanoate) is sourced from PubChem (CID 6432480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).