2,3-dimethyl-1-octylpyridin-1-ium;hexafluoroantimony(1-)

C15H26F6NSb — CID 159998256

IUPAC2,3-dimethyl-1-octylpyridin-1-ium;hexafluoroantimony(1-)
SMILESCCCCCCCC[n+]1cccc(C)c1C.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C15H26N.6FH.Sb/c1-4-5-6-7-8-9-12-16-13-10-11-14(2)15(16)3;;;;;;;/h10-11,13H,4-9,12H2,1-3H3;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyOHVBSWURRLCHRZ-UHFFFAOYSA-H
MW456.13 g/mol
LogP6.09
Rot. Bonds7

About 2,3-dimethyl-1-octylpyridin-1-ium;hexafluoroantimony(1-)

2,3-dimethyl-1-octylpyridin-1-ium;hexafluoroantimony(1-) (PubChem CID 159998256) has the molecular formula C15H26F6NSb and a molecular weight of 456.13 g/mol. Its IUPAC name is 2,3-dimethyl-1-octylpyridin-1-ium;hexafluoroantimony(1-).

Molecular Properties

Compound Name2,3-dimethyl-1-octylpyridin-1-ium;hexafluoroantimony(1-)
PubChem CID159998256
Molecular FormulaC15H26F6NSb
Molecular Weight456.13 g/mol
Exact Mass455.10
IUPAC Name2,3-dimethyl-1-octylpyridin-1-ium;hexafluoroantimony(1-)
SMILESCCCCCCCC[n+]1cccc(C)c1C.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C15H26N.6FH.Sb/c1-4-5-6-7-8-9-12-16-13-10-11-14(2)15(16)3;;;;;;;/h10-11,13H,4-9,12H2,1-3H3;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyOHVBSWURRLCHRZ-UHFFFAOYSA-H
XLogP6.09
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.13
LogP ≤ 56.09
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_1', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-1-octylpyridin-1-ium bromide
CID 46210877
2-butyl-1-dodecylpyridin-1-ium
CID 171570143
2,3-dimethyl-1-[2-(1-methylpyridin-1-ium-4-yl)ethyl]pyridin-1-ium
CID 91326704
2-bromo-1-octadecylpyridin-1-ium
CID 159905409
1-dodecyl-2-ethylpyridin-1-ium
CID 57483554
2-bromo-1-docosylpyridin-1-ium
CID 174958496
1-hexylpyridin-1-ium-2-amine
CID 12924167
2,3-dihexadecyl-1-octadecylpyridin-1-ium
CID 69394847
copper bis(1-hexyl-2-methylpyridin-1-ium-3,4-diolate)
CID 139164120
1,2,3-tri(tridecyl)pyridin-1-ium
CID 69393542
2-octyl-1-[8-(2-octylpyridin-1-ium-1-yl)octyl]pyridin-1-ium
CID 102323866
2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium
CID 24865578

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-octylpyridin-1-ium;hexafluoroantimony(1-)?
The IUPAC name of 2,3-dimethyl-1-octylpyridin-1-ium;hexafluoroantimony(1-) (CID 159998256) is 2,3-dimethyl-1-octylpyridin-1-ium;hexafluoroantimony(1-).
What is the SMILES notation for 2,3-dimethyl-1-octylpyridin-1-ium;hexafluoroantimony(1-)?
The canonical SMILES for 2,3-dimethyl-1-octylpyridin-1-ium;hexafluoroantimony(1-) is CCCCCCCC[n+]1cccc(C)c1C.F[Sb-](F)(F)(F)(F)F.
What is the InChIKey of 2,3-dimethyl-1-octylpyridin-1-ium;hexafluoroantimony(1-)?
The InChIKey is OHVBSWURRLCHRZ-UHFFFAOYSA-H. The full InChI is InChI=1S/C15H26N.6FH.Sb/c1-4-5-6-7-8-9-12-16-13-10-11-14(2)15(16)3;;;;;;;/h10-11,13H,4-9,12H2,1-3H3;6*1H;/q+1;;;;;;;+5/p-6.
What are the key properties of 2,3-dimethyl-1-octylpyridin-1-ium;hexafluoroantimony(1-)?
2,3-dimethyl-1-octylpyridin-1-ium;hexafluoroantimony(1-) has a molecular weight of 456.13 g/mol, XLogP of 6.09, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-octylpyridin-1-ium;hexafluoroantimony(1-) is sourced from PubChem (CID 159998256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).