ethanol;1-ethyl-4-methylpyridin-1-ium

C10H18NO+ — CID 91117915

IUPACethanol;1-ethyl-4-methylpyridin-1-ium
SMILESCCO.CC[n+]1ccc(C)cc1
InChIInChI=1S/C8H12N.C2H6O/c1-3-9-6-4-8(2)5-7-9;1-2-3/h4-7H,3H2,1-2H3;3H,2H2,1H3/q+1;
InChIKeyBKYJBPKFQSBAOS-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.30
Rot. Bonds1

About ethanol;1-ethyl-4-methylpyridin-1-ium

ethanol;1-ethyl-4-methylpyridin-1-ium (PubChem CID 91117915) has the molecular formula C10H18NO+ and a molecular weight of 168.26 g/mol. Its IUPAC name is ethanol;1-ethyl-4-methylpyridin-1-ium.

Molecular Properties

Compound Nameethanol;1-ethyl-4-methylpyridin-1-ium
PubChem CID91117915
Molecular FormulaC10H18NO+
Molecular Weight168.26 g/mol
Exact Mass168.14
IUPAC Nameethanol;1-ethyl-4-methylpyridin-1-ium
SMILESCCO.CC[n+]1ccc(C)cc1
InChIInChI=1S/C8H12N.C2H6O/c1-3-9-6-4-8(2)5-7-9;1-2-3/h4-7H,3H2,1-2H3;3H,2H2,1H3/q+1;
InChIKeyBKYJBPKFQSBAOS-UHFFFAOYSA-N
XLogP1.30
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-methylpyridin-1-ium bromide
CID 14358228
1-ethyl-4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium
CID 6147233
4-methyl-1-propylpyridin-1-ium iodide
CID 15904240
ethanol;methanol;1,4-xylene
CID 70196397
4-methyl-1-[8-(4-methylpyridin-1-ium-1-yl)octyl]pyridin-1-ium
CID 10813744
4-methyl-1-propylpyridin-1-ium cyanide
CID 171571346
4-methyl-1-(2-methylsulfanylethyl)pyridin-1-ium
CID 89327943
4-methyl-1-[7-(4-methylpyridin-1-ium-1-yl)heptyl]pyridin-1-ium dibromide
CID 10527247
4-methyl-1-[10-(4-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium;tetrahydrobromide
CID 174105717
ethanol;toluene;trihydrochloride
CID 175328160
azane;ethanol;toluene
CID 131739211
4-methyl-1-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium
CID 10587220

Frequently Asked Questions

What is the IUPAC name of ethanol;1-ethyl-4-methylpyridin-1-ium?
The IUPAC name of ethanol;1-ethyl-4-methylpyridin-1-ium (CID 91117915) is ethanol;1-ethyl-4-methylpyridin-1-ium.
What is the SMILES notation for ethanol;1-ethyl-4-methylpyridin-1-ium?
The canonical SMILES for ethanol;1-ethyl-4-methylpyridin-1-ium is CCO.CC[n+]1ccc(C)cc1.
What is the InChIKey of ethanol;1-ethyl-4-methylpyridin-1-ium?
The InChIKey is BKYJBPKFQSBAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N.C2H6O/c1-3-9-6-4-8(2)5-7-9;1-2-3/h4-7H,3H2,1-2H3;3H,2H2,1H3/q+1;.
What are the key properties of ethanol;1-ethyl-4-methylpyridin-1-ium?
ethanol;1-ethyl-4-methylpyridin-1-ium has a molecular weight of 168.26 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;1-ethyl-4-methylpyridin-1-ium is sourced from PubChem (CID 91117915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).