1-decyl-3-methylimidazol-3-ium hydroxide

C14H28N2O — CID 162364634

IUPAC1-decyl-3-methylimidazol-3-ium hydroxide
SMILESCCCCCCCCCCn1cc[n+](C)c1.[OH-]
InChIInChI=1S/C14H27N2.H2O/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;/h12-14H,3-11H2,1-2H3;1H2/q+1;/p-1
InChIKeyKSVQFKYDBUQGSO-UHFFFAOYSA-M
MW240.39 g/mol
LogP3.28
Rot. Bonds9

About 1-decyl-3-methylimidazol-3-ium hydroxide

1-decyl-3-methylimidazol-3-ium hydroxide (PubChem CID 162364634) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-decyl-3-methylimidazol-3-ium hydroxide.

Molecular Properties

Compound Name1-decyl-3-methylimidazol-3-ium hydroxide
PubChem CID162364634
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-decyl-3-methylimidazol-3-ium hydroxide
SMILESCCCCCCCCCCn1cc[n+](C)c1.[OH-]
InChIInChI=1S/C14H27N2.H2O/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;/h12-14H,3-11H2,1-2H3;1H2/q+1;/p-1
InChIKeyKSVQFKYDBUQGSO-UHFFFAOYSA-M
XLogP3.28
TPSA38.81 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-heptyl-3-methylimidazol-3-ium chloride
CID 87431779
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
1-dodecyl-3-methylimidazol-3-ium tetrafluoroborate
CID 46226173
1-decyl-3-methylimidazol-3-ium;rhodium;tetrafluoroborate
CID 11269922
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
1-hexyl-3-methylimidazol-3-ium;hydrogen carbonate
CID 71551842

Frequently Asked Questions

What is the IUPAC name of 1-decyl-3-methylimidazol-3-ium hydroxide?
The IUPAC name of 1-decyl-3-methylimidazol-3-ium hydroxide (CID 162364634) is 1-decyl-3-methylimidazol-3-ium hydroxide.
What is the SMILES notation for 1-decyl-3-methylimidazol-3-ium hydroxide?
The canonical SMILES for 1-decyl-3-methylimidazol-3-ium hydroxide is CCCCCCCCCCn1cc[n+](C)c1.[OH-].
What is the InChIKey of 1-decyl-3-methylimidazol-3-ium hydroxide?
The InChIKey is KSVQFKYDBUQGSO-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H27N2.H2O/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;/h12-14H,3-11H2,1-2H3;1H2/q+1;/p-1.
What are the key properties of 1-decyl-3-methylimidazol-3-ium hydroxide?
1-decyl-3-methylimidazol-3-ium hydroxide has a molecular weight of 240.39 g/mol, XLogP of 3.28, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3-methylimidazol-3-ium hydroxide is sourced from PubChem (CID 162364634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).