dioctylbismuthanylium

C16H34Bi+ — CID 158181508

IUPACdioctylbismuthanylium
SMILESCCCCCCCC[Bi+]CCCCCCCC
InChIInChI=1S/2C8H17.Bi/c2*1-3-5-7-8-6-4-2;/h2*1,3-8H2,2H3;/q;;+1
InChIKeyIIUBPHWCJJMXTB-UHFFFAOYSA-N
MW435.43 g/mol
LogP6.25
Rot. Bonds14

About dioctylbismuthanylium

dioctylbismuthanylium (PubChem CID 158181508) has the molecular formula C16H34Bi+ and a molecular weight of 435.43 g/mol. Its IUPAC name is dioctylbismuthanylium.

Molecular Properties

Compound Namedioctylbismuthanylium
PubChem CID158181508
Molecular FormulaC16H34Bi+
Molecular Weight435.43 g/mol
Exact Mass435.25
IUPAC Namedioctylbismuthanylium
SMILESCCCCCCCC[Bi+]CCCCCCCC
InChIInChI=1S/2C8H17.Bi/c2*1-3-5-7-8-6-4-2;/h2*1,3-8H2,2H3;/q;;+1
InChIKeyIIUBPHWCJJMXTB-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.43
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
heptahectane
CID 123338944
dopentacontahectane
CID 23391374

Frequently Asked Questions

What is the IUPAC name of dioctylbismuthanylium?
The IUPAC name of dioctylbismuthanylium (CID 158181508) is dioctylbismuthanylium.
What is the SMILES notation for dioctylbismuthanylium?
The canonical SMILES for dioctylbismuthanylium is CCCCCCCC[Bi+]CCCCCCCC.
What is the InChIKey of dioctylbismuthanylium?
The InChIKey is IIUBPHWCJJMXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H17.Bi/c2*1-3-5-7-8-6-4-2;/h2*1,3-8H2,2H3;/q;;+1.
What are the key properties of dioctylbismuthanylium?
dioctylbismuthanylium has a molecular weight of 435.43 g/mol, XLogP of 6.25, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dioctylbismuthanylium is sourced from PubChem (CID 158181508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).