1-decyl-3-methylimidazol-3-ium tetrafluoroborate

C14H27BF4N2 — CID 11461044

IUPAC1-decyl-3-methylimidazol-3-ium tetrafluoroborate
SMILESCCCCCCCCCCn1cc[n+](C)c1.F[B-](F)(F)F
InChIInChI=1S/C14H27N2.BF4/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
InChIKeyQGUMDWFYJYXDTH-UHFFFAOYSA-N
MW310.19 g/mol
LogP4.75
Rot. Bonds9

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

1-decyl-3-methylimidazol-3-ium tetrafluoroborate (PubChem CID 11461044) has the molecular formula C14H27BF4N2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 1-decyl-3-methylimidazol-3-ium tetrafluoroborate.

Molecular Properties

Compound Name1-decyl-3-methylimidazol-3-ium tetrafluoroborate
PubChem CID11461044
Molecular FormulaC14H27BF4N2
Molecular Weight310.19 g/mol
Exact Mass310.22
IUPAC Name1-decyl-3-methylimidazol-3-ium tetrafluoroborate
SMILESCCCCCCCCCCn1cc[n+](C)c1.F[B-](F)(F)F
InChIInChI=1S/C14H27N2.BF4/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
InChIKeyQGUMDWFYJYXDTH-UHFFFAOYSA-N
XLogP4.75
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
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

Butylimidazole
CID 61347
1-Hexadecyl-3-methylimidazolium Chloride
CID 2734231
1-Decyl-3-methylimidazolium Bromide
CID 22078297
1-Methyl-3-octylimidazolium hexafluorophosphate
CID 2734243
1-Octyl-3-methylimidazolium chloride
CID 2734223
1-Pentyl-1H-imidazole
CID 529334
1-Butyl-3-methylimidazolium chloride
CID 2734161
1,3-Didecyl-2-methyl-1H-imidazolium chloride
CID 2775940
1-Ethyl-3-methylimidazolium tetrafluoroborate
CID 2769348
1-Dodecylimidazole
CID 78002
1-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride
CID 2734227
1-Methyl-3-octylimidazolium tetrafluoroborate
CID 11460221

Frequently Asked Questions

What is the IUPAC name of 1-decyl-3-methylimidazol-3-ium tetrafluoroborate?
The IUPAC name of 1-decyl-3-methylimidazol-3-ium tetrafluoroborate (CID 11461044) is 1-decyl-3-methylimidazol-3-ium tetrafluoroborate.
What is the SMILES notation for 1-decyl-3-methylimidazol-3-ium tetrafluoroborate?
The canonical SMILES for 1-decyl-3-methylimidazol-3-ium tetrafluoroborate is CCCCCCCCCCn1cc[n+](C)c1.F[B-](F)(F)F.
What is the InChIKey of 1-decyl-3-methylimidazol-3-ium tetrafluoroborate?
The InChIKey is QGUMDWFYJYXDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N2.BF4/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 tetrafluoroborate?
1-decyl-3-methylimidazol-3-ium tetrafluoroborate has a molecular weight of 310.19 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 tetrafluoroborate is sourced from PubChem (CID 11461044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).