bismuth decanoate

C10H19BiO2+2 — CID 172855366

IUPACbismuth decanoate
SMILESCCCCCCCCCC(=O)[O-].[Bi+3]
InChIInChI=1S/C10H20O2.Bi/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);/q;+3/p-1
InChIKeyYPZQWBUSJCEBRJ-UHFFFAOYSA-M
MW380.24 g/mol
LogP1.50
Rot. Bonds8

About bismuth decanoate

bismuth decanoate (PubChem CID 172855366) has the molecular formula C10H19BiO2+2 and a molecular weight of 380.24 g/mol. Its IUPAC name is bismuth decanoate.

Molecular Properties

Compound Namebismuth decanoate
PubChem CID172855366
Molecular FormulaC10H19BiO2+2
Molecular Weight380.24 g/mol
Exact Mass380.12
IUPAC Namebismuth decanoate
SMILESCCCCCCCCCC(=O)[O-].[Bi+3]
InChIInChI=1S/C10H20O2.Bi/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);/q;+3/p-1
InChIKeyYPZQWBUSJCEBRJ-UHFFFAOYSA-M
XLogP1.50
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
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CID 87233709
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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 bismuth decanoate?
The IUPAC name of bismuth decanoate (CID 172855366) is bismuth decanoate.
What is the SMILES notation for bismuth decanoate?
The canonical SMILES for bismuth decanoate is CCCCCCCCCC(=O)[O-].[Bi+3].
What is the InChIKey of bismuth decanoate?
The InChIKey is YPZQWBUSJCEBRJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20O2.Bi/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);/q;+3/p-1.
What are the key properties of bismuth decanoate?
bismuth decanoate has a molecular weight of 380.24 g/mol, XLogP of 1.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bismuth decanoate is sourced from PubChem (CID 172855366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).