didodecyl(dimethyl)azanium tetrafluoroborate

C26H56BF4N — CID 87359558

IUPACdidodecyl(dimethyl)azanium tetrafluoroborate
SMILESCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.F[B-](F)(F)F
InChIInChI=1S/C26H56N.BF4/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;2-1(3,4)5/h5-26H2,1-4H3;/q+1;-1
InChIKeyGJLBHDHCUBQUTO-UHFFFAOYSA-N
MW469.55 g/mol
LogP10.20
Rot. Bonds22

About didodecyl(dimethyl)azanium tetrafluoroborate

didodecyl(dimethyl)azanium tetrafluoroborate (PubChem CID 87359558) has the molecular formula C26H56BF4N and a molecular weight of 469.55 g/mol. Its IUPAC name is didodecyl(dimethyl)azanium tetrafluoroborate.

Molecular Properties

Compound Namedidodecyl(dimethyl)azanium tetrafluoroborate
PubChem CID87359558
Molecular FormulaC26H56BF4N
Molecular Weight469.55 g/mol
Exact Mass469.44
IUPAC Namedidodecyl(dimethyl)azanium tetrafluoroborate
SMILESCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.F[B-](F)(F)F
InChIInChI=1S/C26H56N.BF4/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;2-1(3,4)5/h5-26H2,1-4H3;/q+1;-1
InChIKeyGJLBHDHCUBQUTO-UHFFFAOYSA-N
XLogP10.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.55
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dimethyl(dioctadecyl)azanium tetrafluoroborate
CID 87344240
heptyl-dimethyl-undecylazanium
CID 122480849
dodecyl-dimethyl-undecylazanium
CID 21491028
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
decyl-dimethyl-tetradecylazanium
CID 13075680
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
decyl-heptadecyl-dimethylazanium
CID 22158969
decyl-[5-[decyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
CID 12958282
dimethyl-pentyl-tridecylazanium
CID 160884159

Frequently Asked Questions

What is the IUPAC name of didodecyl(dimethyl)azanium tetrafluoroborate?
The IUPAC name of didodecyl(dimethyl)azanium tetrafluoroborate (CID 87359558) is didodecyl(dimethyl)azanium tetrafluoroborate.
What is the SMILES notation for didodecyl(dimethyl)azanium tetrafluoroborate?
The canonical SMILES for didodecyl(dimethyl)azanium tetrafluoroborate is CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.F[B-](F)(F)F.
What is the InChIKey of didodecyl(dimethyl)azanium tetrafluoroborate?
The InChIKey is GJLBHDHCUBQUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56N.BF4/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;2-1(3,4)5/h5-26H2,1-4H3;/q+1;-1.
What are the key properties of didodecyl(dimethyl)azanium tetrafluoroborate?
didodecyl(dimethyl)azanium tetrafluoroborate has a molecular weight of 469.55 g/mol, XLogP of 10.20, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for didodecyl(dimethyl)azanium tetrafluoroborate is sourced from PubChem (CID 87359558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).