1-decyl-3-(nonoxymethyl)imidazol-3-ium

C23H45N2O+ — CID 101138570

IUPAC1-decyl-3-(nonoxymethyl)imidazol-3-ium
SMILESCCCCCCCCCCn1cc[n+](COCCCCCCCCC)c1
InChIInChI=1S/C23H45N2O/c1-3-5-7-9-11-12-14-16-18-24-19-20-25(22-24)23-26-21-17-15-13-10-8-6-4-2/h19-20,22H,3-18,21,23H2,1-2H3/q+1
InChIKeyDYBDHEUEHSMRJY-UHFFFAOYSA-N
MW365.63 g/mol
LogP6.64
Rot. Bonds19

About 1-decyl-3-(nonoxymethyl)imidazol-3-ium

1-decyl-3-(nonoxymethyl)imidazol-3-ium (PubChem CID 101138570) has the molecular formula C23H45N2O+ and a molecular weight of 365.63 g/mol. Its IUPAC name is 1-decyl-3-(nonoxymethyl)imidazol-3-ium.

Molecular Properties

Compound Name1-decyl-3-(nonoxymethyl)imidazol-3-ium
PubChem CID101138570
Molecular FormulaC23H45N2O+
Molecular Weight365.63 g/mol
Exact Mass365.35
IUPAC Name1-decyl-3-(nonoxymethyl)imidazol-3-ium
SMILESCCCCCCCCCCn1cc[n+](COCCCCCCCCC)c1
InChIInChI=1S/C23H45N2O/c1-3-5-7-9-11-12-14-16-18-24-19-20-25(22-24)23-26-21-17-15-13-10-8-6-4-2/h19-20,22H,3-18,21,23H2,1-2H3/q+1
InChIKeyDYBDHEUEHSMRJY-UHFFFAOYSA-N
XLogP6.64
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.63
LogP ≤ 56.64
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-decyl-3-(hexoxymethyl)imidazol-3-ium
CID 100948562
1-pentyl-3-[6-[(3-pentylimidazol-1-ium-1-yl)methoxy]hexoxymethyl]imidazol-3-ium dichloride
CID 175685007
1-tetradecyl-3-[3-[(3-tetradecylimidazol-1-ium-1-yl)methoxy]propoxymethyl]imidazol-3-ium dichloride
CID 175686282
1-(butoxymethyl)-3-(decoxymethyl)imidazol-3-ium
CID 101112370
1,3-bis(3-pentoxypropyl)imidazol-1-ium
CID 170168188
1-icosyl-3-nonadecylimidazol-3-ium
CID 146315901
1-tetradecyl-3-[6-(3-tetradecylimidazol-3-ium-1-yl)hexyl]imidazol-1-ium
CID 102416106
1-pentyl-3-tridecylimidazol-1-ium
CID 87806959
1-hexadecyl-3-tridecylimidazol-3-ium
CID 87897288
1-dodecyl-3-undecylimidazol-3-ium
CID 87811099
1-docosyl-3-octadecylimidazol-1-ium
CID 102417147
1-octadecyl-3-undecylimidazol-3-ium
CID 87896154

Frequently Asked Questions

What is the IUPAC name of 1-decyl-3-(nonoxymethyl)imidazol-3-ium?
The IUPAC name of 1-decyl-3-(nonoxymethyl)imidazol-3-ium (CID 101138570) is 1-decyl-3-(nonoxymethyl)imidazol-3-ium.
What is the SMILES notation for 1-decyl-3-(nonoxymethyl)imidazol-3-ium?
The canonical SMILES for 1-decyl-3-(nonoxymethyl)imidazol-3-ium is CCCCCCCCCCn1cc[n+](COCCCCCCCCC)c1.
What is the InChIKey of 1-decyl-3-(nonoxymethyl)imidazol-3-ium?
The InChIKey is DYBDHEUEHSMRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N2O/c1-3-5-7-9-11-12-14-16-18-24-19-20-25(22-24)23-26-21-17-15-13-10-8-6-4-2/h19-20,22H,3-18,21,23H2,1-2H3/q+1.
What are the key properties of 1-decyl-3-(nonoxymethyl)imidazol-3-ium?
1-decyl-3-(nonoxymethyl)imidazol-3-ium has a molecular weight of 365.63 g/mol, XLogP of 6.64, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3-(nonoxymethyl)imidazol-3-ium is sourced from PubChem (CID 101138570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).