(1-tetradecylpyridin-1-ium-3-yl)methanol

C20H36NO+ — CID 11760839

IUPAC(1-tetradecylpyridin-1-ium-3-yl)methanol
SMILESCCCCCCCCCCCCCC[n+]1cccc(CO)c1
InChIInChI=1S/C20H36NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-17-14-15-20(18-21)19-22/h14-15,17-18,22H,2-13,16,19H2,1H3/q+1
InChIKeyQLMWQEMBYVSDAA-UHFFFAOYSA-N
MW306.51 g/mol
LogP5.17
Rot. Bonds14

About (1-tetradecylpyridin-1-ium-3-yl)methanol

(1-tetradecylpyridin-1-ium-3-yl)methanol (PubChem CID 11760839) has the molecular formula C20H36NO+ and a molecular weight of 306.51 g/mol. Its IUPAC name is (1-tetradecylpyridin-1-ium-3-yl)methanol.

Molecular Properties

Compound Name(1-tetradecylpyridin-1-ium-3-yl)methanol
PubChem CID11760839
Molecular FormulaC20H36NO+
Molecular Weight306.51 g/mol
Exact Mass306.28
IUPAC Name(1-tetradecylpyridin-1-ium-3-yl)methanol
SMILESCCCCCCCCCCCCCC[n+]1cccc(CO)c1
InChIInChI=1S/C20H36NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-17-14-15-20(18-21)19-22/h14-15,17-18,22H,2-13,16,19H2,1H3/q+1
InChIKeyQLMWQEMBYVSDAA-UHFFFAOYSA-N
XLogP5.17
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.51
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-octyl-1-undecylpyridin-1-ium
CID 69390098
1-dodecyl-3-heptadecylpyridin-1-ium
CID 69396835
3-butyl-1-heptadecylpyridin-1-ium
CID 69395997
3-decyl-1-nonylpyridin-1-ium
CID 69391901
1-decyl-3-tetradecylpyridin-1-ium
CID 69387489
3-butyl-1-hexadecylpyridin-1-ium
CID 69391952
3-hexadecyl-1-octadecylpyridin-1-ium
CID 69395043
1-hexyl-3-nonadecylpyridin-1-ium
CID 69397538
3-nonadecyl-1-tridecylpyridin-1-ium
CID 69393724
1-hexyl-3-tridecylpyridin-1-ium
CID 69392131
3-butyl-1-heptylpyridin-1-ium
CID 69397498
1-nonadecyl-3-octylpyridin-1-ium
CID 69390200

Frequently Asked Questions

What is the IUPAC name of (1-tetradecylpyridin-1-ium-3-yl)methanol?
The IUPAC name of (1-tetradecylpyridin-1-ium-3-yl)methanol (CID 11760839) is (1-tetradecylpyridin-1-ium-3-yl)methanol.
What is the SMILES notation for (1-tetradecylpyridin-1-ium-3-yl)methanol?
The canonical SMILES for (1-tetradecylpyridin-1-ium-3-yl)methanol is CCCCCCCCCCCCCC[n+]1cccc(CO)c1.
What is the InChIKey of (1-tetradecylpyridin-1-ium-3-yl)methanol?
The InChIKey is QLMWQEMBYVSDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-17-14-15-20(18-21)19-22/h14-15,17-18,22H,2-13,16,19H2,1H3/q+1.
What are the key properties of (1-tetradecylpyridin-1-ium-3-yl)methanol?
(1-tetradecylpyridin-1-ium-3-yl)methanol has a molecular weight of 306.51 g/mol, XLogP of 5.17, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tetradecylpyridin-1-ium-3-yl)methanol is sourced from PubChem (CID 11760839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).