1-decyl-3-methylimidazol-3-ium;rhodium;tetrafluoroborate

C14H27BF4N2Rh — CID 11269922

IUPAC1-decyl-3-methylimidazol-3-ium;rhodium;tetrafluoroborate
SMILESCCCCCCCCCCn1cc[n+](C)c1.F[B-](F)(F)F.[Rh]
InChIInChI=1S/C14H27N2.BF4.Rh/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;2-1(3,4)5;/h12-14H,3-11H2,1-2H3;;/q+1;-1;
InChIKeyRVVLUYKJIRBOLQ-UHFFFAOYSA-N
MW413.09 g/mol
LogP4.75
Rot. Bonds9

About 1-decyl-3-methylimidazol-3-ium;rhodium;tetrafluoroborate

1-decyl-3-methylimidazol-3-ium;rhodium;tetrafluoroborate (PubChem CID 11269922) has the molecular formula C14H27BF4N2Rh and a molecular weight of 413.09 g/mol. Its IUPAC name is 1-decyl-3-methylimidazol-3-ium;rhodium;tetrafluoroborate.

Molecular Properties

Compound Name1-decyl-3-methylimidazol-3-ium;rhodium;tetrafluoroborate
PubChem CID11269922
Molecular FormulaC14H27BF4N2Rh
Molecular Weight413.09 g/mol
Exact Mass413.13
IUPAC Name1-decyl-3-methylimidazol-3-ium;rhodium;tetrafluoroborate
SMILESCCCCCCCCCCn1cc[n+](C)c1.F[B-](F)(F)F.[Rh]
InChIInChI=1S/C14H27N2.BF4.Rh/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;2-1(3,4)5;/h12-14H,3-11H2,1-2H3;;/q+1;-1;
InChIKeyRVVLUYKJIRBOLQ-UHFFFAOYSA-N
XLogP4.75
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.09
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-dodecyl-3-methylimidazol-3-ium tetrafluoroborate
CID 46226173
tetrakis(1-hexyl-3-methylimidazol-3-ium);borate;tetrafluoroborate
CID 175247115
1-heptyl-3-methylimidazol-3-ium chloride
CID 87431779
1-decyl-3-methylimidazol-3-ium hydroxide
CID 162364634
1-methyl-3-nonadecylimidazol-1-ium chloride
CID 10452646
1-icosyl-3-methylimidazol-3-ium bromide
CID 141143655
1-dotetracontyl-3-methylimidazol-3-ium chloride
CID 141281431
1-methyl-3-pentylimidazol-1-ium iodide
CID 11403236
heptakis(1-hexyl-3-methylimidazol-3-ium);borate;tetrafluoride
CID 175093615
1-butyl-3-methylimidazol-3-ium;tetrahydrate
CID 175081123
1-methyl-3-(6-tridecylsulfanylhexyl)imidazol-1-ium
CID 102360501
1-decyl-3-methylimidazol-3-ium thiocyanate
CID 23105183

Frequently Asked Questions

What is the IUPAC name of 1-decyl-3-methylimidazol-3-ium;rhodium;tetrafluoroborate?
The IUPAC name of 1-decyl-3-methylimidazol-3-ium;rhodium;tetrafluoroborate (CID 11269922) is 1-decyl-3-methylimidazol-3-ium;rhodium;tetrafluoroborate.
What is the SMILES notation for 1-decyl-3-methylimidazol-3-ium;rhodium;tetrafluoroborate?
The canonical SMILES for 1-decyl-3-methylimidazol-3-ium;rhodium;tetrafluoroborate is CCCCCCCCCCn1cc[n+](C)c1.F[B-](F)(F)F.[Rh].
What is the InChIKey of 1-decyl-3-methylimidazol-3-ium;rhodium;tetrafluoroborate?
The InChIKey is RVVLUYKJIRBOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N2.BF4.Rh/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;2-1(3,4)5;/h12-14H,3-11H2,1-2H3;;/q+1;-1;.
What are the key properties of 1-decyl-3-methylimidazol-3-ium;rhodium;tetrafluoroborate?
1-decyl-3-methylimidazol-3-ium;rhodium;tetrafluoroborate has a molecular weight of 413.09 g/mol, XLogP of 4.75, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3-methylimidazol-3-ium;rhodium;tetrafluoroborate is sourced from PubChem (CID 11269922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).