bis(decanoic acid);triphenylbismuthane

C38H55BiO4 — CID 157172674

IUPACbis(decanoic acid);triphenylbismuthane
SMILESCCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.c1ccc([Bi](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C10H20O2.3C6H5.Bi/c2*1-2-3-4-5-6-7-8-9-10(11)12;3*1-2-4-6-5-3-1;/h2*2-9H2,1H3,(H,11,12);3*1-5H;
InChIKeyANQPUDOJQJLRGE-UHFFFAOYSA-N
MW784.83 g/mol
LogP8.63
Rot. Bonds19

About bis(decanoic acid);triphenylbismuthane

bis(decanoic acid);triphenylbismuthane (PubChem CID 157172674) has the molecular formula C38H55BiO4 and a molecular weight of 784.83 g/mol. Its IUPAC name is bis(decanoic acid);triphenylbismuthane.

Molecular Properties

Compound Namebis(decanoic acid);triphenylbismuthane
PubChem CID157172674
Molecular FormulaC38H55BiO4
Molecular Weight784.83 g/mol
Exact Mass784.39
IUPAC Namebis(decanoic acid);triphenylbismuthane
SMILESCCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.c1ccc([Bi](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C10H20O2.3C6H5.Bi/c2*1-2-3-4-5-6-7-8-9-10(11)12;3*1-2-4-6-5-3-1;/h2*2-9H2,1H3,(H,11,12);3*1-5H;
InChIKeyANQPUDOJQJLRGE-UHFFFAOYSA-N
XLogP8.63
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.83
LogP ≤ 58.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(decanoic acid);triphenylbismuthane?
The IUPAC name of bis(decanoic acid);triphenylbismuthane (CID 157172674) is bis(decanoic acid);triphenylbismuthane.
What is the SMILES notation for bis(decanoic acid);triphenylbismuthane?
The canonical SMILES for bis(decanoic acid);triphenylbismuthane is CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.c1ccc([Bi](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(decanoic acid);triphenylbismuthane?
The InChIKey is ANQPUDOJQJLRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20O2.3C6H5.Bi/c2*1-2-3-4-5-6-7-8-9-10(11)12;3*1-2-4-6-5-3-1;/h2*2-9H2,1H3,(H,11,12);3*1-5H;.
What are the key properties of bis(decanoic acid);triphenylbismuthane?
bis(decanoic acid);triphenylbismuthane has a molecular weight of 784.83 g/mol, XLogP of 8.63, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(decanoic acid);triphenylbismuthane is sourced from PubChem (CID 157172674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).