6-(3-methylimidazol-3-ium-1-yl)hexan-1-ol bromide

C10H19BrN2O — CID 89440074

IUPAC6-(3-methylimidazol-3-ium-1-yl)hexan-1-ol bromide
SMILESC[n+]1ccn(CCCCCCO)c1.[Br-]
InChIInChI=1S/C10H19N2O.BrH/c1-11-7-8-12(10-11)6-4-2-3-5-9-13;/h7-8,10,13H,2-6,9H2,1H3;1H/q+1;/p-1
InChIKeyKWDSVKVUTLXHND-UHFFFAOYSA-M
MW263.18 g/mol
LogP-2.13
Rot. Bonds6

About 6-(3-methylimidazol-3-ium-1-yl)hexan-1-ol bromide

6-(3-methylimidazol-3-ium-1-yl)hexan-1-ol bromide (PubChem CID 89440074) has the molecular formula C10H19BrN2O and a molecular weight of 263.18 g/mol. Its IUPAC name is 6-(3-methylimidazol-3-ium-1-yl)hexan-1-ol bromide.

Molecular Properties

Compound Name6-(3-methylimidazol-3-ium-1-yl)hexan-1-ol bromide
PubChem CID89440074
Molecular FormulaC10H19BrN2O
Molecular Weight263.18 g/mol
Exact Mass262.07
IUPAC Name6-(3-methylimidazol-3-ium-1-yl)hexan-1-ol bromide
SMILESC[n+]1ccn(CCCCCCO)c1.[Br-]
InChIInChI=1S/C10H19N2O.BrH/c1-11-7-8-12(10-11)6-4-2-3-5-9-13;/h7-8,10,13H,2-6,9H2,1H3;1H/q+1;/p-1
InChIKeyKWDSVKVUTLXHND-UHFFFAOYSA-M
XLogP-2.13
TPSA29.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.18
LogP ≤ 5-2.13
H-Bond Donors ≤ 51
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

3-(3-methylimidazol-3-ium-1-yl)propan-1-ol hydroxide
CID 86606382
1-methyl-3-[8-(3-methylimidazol-3-ium-1-yl)octyl]imidazol-1-ium;hydrobromide
CID 135325512
1-methyl-3-[10-(3-methylimidazol-3-ium-1-yl)decyl]imidazol-1-ium diiodide
CID 46185650
1-methyl-3-[15-(3-methylimidazol-3-ium-1-yl)pentadecyl]imidazol-1-ium dichloride
CID 71525194
1-icosyl-3-methylimidazol-3-ium bromide
CID 141143655
bis(trifluoromethylsulfonyl)azanide;8-(3-methylimidazol-3-ium-1-yl)octan-1-ol
CID 153320976
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-methyl-3-pentylimidazol-1-ium iodide
CID 11403236
1,3-bis[6-(3-methylimidazol-3-ium-1-yl)hexyl]imidazol-1-ium
CID 102441081
1-methyl-3-(16-methylheptadecyl)imidazol-1-ium
CID 87433664

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylimidazol-3-ium-1-yl)hexan-1-ol bromide?
The IUPAC name of 6-(3-methylimidazol-3-ium-1-yl)hexan-1-ol bromide (CID 89440074) is 6-(3-methylimidazol-3-ium-1-yl)hexan-1-ol bromide.
What is the SMILES notation for 6-(3-methylimidazol-3-ium-1-yl)hexan-1-ol bromide?
The canonical SMILES for 6-(3-methylimidazol-3-ium-1-yl)hexan-1-ol bromide is C[n+]1ccn(CCCCCCO)c1.[Br-].
What is the InChIKey of 6-(3-methylimidazol-3-ium-1-yl)hexan-1-ol bromide?
The InChIKey is KWDSVKVUTLXHND-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19N2O.BrH/c1-11-7-8-12(10-11)6-4-2-3-5-9-13;/h7-8,10,13H,2-6,9H2,1H3;1H/q+1;/p-1.
What are the key properties of 6-(3-methylimidazol-3-ium-1-yl)hexan-1-ol bromide?
6-(3-methylimidazol-3-ium-1-yl)hexan-1-ol bromide has a molecular weight of 263.18 g/mol, XLogP of -2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylimidazol-3-ium-1-yl)hexan-1-ol bromide is sourced from PubChem (CID 89440074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).