1-(hexoxymethyl)-3-methylimidazol-3-ium

C11H21N2O+ — CID 13452163

IUPAC1-(hexoxymethyl)-3-methylimidazol-3-ium
SMILESCCCCCCOCn1cc[n+](C)c1
InChIInChI=1S/C11H21N2O/c1-3-4-5-6-9-14-11-13-8-7-12(2)10-13/h7-8,10H,3-6,9,11H2,1-2H3/q+1
InChIKeyXPMJHLDLBVKRRD-UHFFFAOYSA-N
MW197.30 g/mol
LogP1.87
Rot. Bonds7

About 1-(hexoxymethyl)-3-methylimidazol-3-ium

1-(hexoxymethyl)-3-methylimidazol-3-ium (PubChem CID 13452163) has the molecular formula C11H21N2O+ and a molecular weight of 197.30 g/mol. Its IUPAC name is 1-(hexoxymethyl)-3-methylimidazol-3-ium.

Molecular Properties

Compound Name1-(hexoxymethyl)-3-methylimidazol-3-ium
PubChem CID13452163
Molecular FormulaC11H21N2O+
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name1-(hexoxymethyl)-3-methylimidazol-3-ium
SMILESCCCCCCOCn1cc[n+](C)c1
InChIInChI=1S/C11H21N2O/c1-3-4-5-6-9-14-11-13-8-7-12(2)10-13/h7-8,10H,3-6,9,11H2,1-2H3/q+1
InChIKeyXPMJHLDLBVKRRD-UHFFFAOYSA-N
XLogP1.87
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.87
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

(2r)-N,N-Dimethyl-4-(1-Methylimidazol-2-Yl)oxy-Butan-2-Amine
CID 70701321
1H-Imidazolium, 2-((hydroxyimino)methyl)-1-methyl-3-((octyloxy)methyl)-, chloride
CID 135705487
1-(diethoxymethyl)-1H-imidazole
CID 3849535
1-Ethynyl-2-(3-methoxyprop-1-ynyl)imidazole
CID 12130697
1H-Imidazolium, 1-(butoxymethyl)-2-((hydroxyimino)methyl)-3-methyl-, chloride
CID 135705403
1H-Imidazolium, 1-((cyclohexyloxy)methyl)-2-((hydroxyimino)methyl)-3-methyl-, chloride
CID 135705421
1H-Imidazolium, 1-((cyclopentyloxy)methyl)-2-((hydroxyimino)methyl)-3-methyl-, chloride
CID 135705427
1H-Imidazolium, 1-((3-hexyloxy)methyl)-2-((hydroxyimino)methyl)-3-methyl-, chloride
CID 135705457
1H-Imidazolium, 2-((hydroxyimino)methyl)-3-methyl-1-((2-pentyloxy)methyl)-, chloride
CID 135705495
1-(methoxymethyl)-1H-imidazole
CID 88359
Agn-PC-0nhxtt
CID 12149457
1-(2-methoxyethyl)-1H-imidazole
CID 14366840

Frequently Asked Questions

What is the IUPAC name of 1-(hexoxymethyl)-3-methylimidazol-3-ium?
The IUPAC name of 1-(hexoxymethyl)-3-methylimidazol-3-ium (CID 13452163) is 1-(hexoxymethyl)-3-methylimidazol-3-ium.
What is the SMILES notation for 1-(hexoxymethyl)-3-methylimidazol-3-ium?
The canonical SMILES for 1-(hexoxymethyl)-3-methylimidazol-3-ium is CCCCCCOCn1cc[n+](C)c1.
What is the InChIKey of 1-(hexoxymethyl)-3-methylimidazol-3-ium?
The InChIKey is XPMJHLDLBVKRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N2O/c1-3-4-5-6-9-14-11-13-8-7-12(2)10-13/h7-8,10H,3-6,9,11H2,1-2H3/q+1.
What are the key properties of 1-(hexoxymethyl)-3-methylimidazol-3-ium?
1-(hexoxymethyl)-3-methylimidazol-3-ium has a molecular weight of 197.30 g/mol, XLogP of 1.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexoxymethyl)-3-methylimidazol-3-ium is sourced from PubChem (CID 13452163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).