1-decyl-2-octylpyridin-1-ium chloride

C23H42ClN — CID 67784709

IUPAC1-decyl-2-octylpyridin-1-ium chloride
SMILESCCCCCCCCCC[n+]1ccccc1CCCCCCCC.[Cl-]
InChIInChI=1S/C23H42N.ClH/c1-3-5-7-9-11-12-14-17-21-24-22-18-16-20-23(24)19-15-13-10-8-6-4-2;/h16,18,20,22H,3-15,17,19,21H2,1-2H3;1H/q+1;/p-1
InChIKeyAJWATBOIHGCWHN-UHFFFAOYSA-M
MW368.05 g/mol
LogP4.02
Rot. Bonds16

About 1-decyl-2-octylpyridin-1-ium chloride

1-decyl-2-octylpyridin-1-ium chloride (PubChem CID 67784709) has the molecular formula C23H42ClN and a molecular weight of 368.05 g/mol. Its IUPAC name is 1-decyl-2-octylpyridin-1-ium chloride.

Molecular Properties

Compound Name1-decyl-2-octylpyridin-1-ium chloride
PubChem CID67784709
Molecular FormulaC23H42ClN
Molecular Weight368.05 g/mol
Exact Mass367.30
IUPAC Name1-decyl-2-octylpyridin-1-ium chloride
SMILESCCCCCCCCCC[n+]1ccccc1CCCCCCCC.[Cl-]
InChIInChI=1S/C23H42N.ClH/c1-3-5-7-9-11-12-14-17-21-24-22-18-16-20-23(24)19-15-13-10-8-6-4-2;/h16,18,20,22H,3-15,17,19,21H2,1-2H3;1H/q+1;/p-1
InChIKeyAJWATBOIHGCWHN-UHFFFAOYSA-M
XLogP4.02
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.05
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

2-hexadecyl-1-[10-(2-hexadecylpyridin-1-ium-1-yl)decyl]pyridin-1-ium
CID 101475531
2-octyl-1-[8-(2-octylpyridin-1-ium-1-yl)octyl]pyridin-1-ium
CID 102323866
2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium
CID 24865578
2-decyl-1-[6-(2-decylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium dibromide
CID 175685303
1-butyl-2-hexylpyridin-1-ium
CID 69233068
2-butyl-1-dodecylpyridin-1-ium
CID 171570143
1-dodecyl-2-[3-(1-dodecylpyridin-1-ium-2-yl)propyl]pyridin-1-ium diiodide
CID 11007274
1-heptyl-2-propylpyridin-1-ium fluoride
CID 171570135
1-dodecyl-2-ethylpyridin-1-ium
CID 57483554
2-decyl-1-ethylpyridin-1-ium
CID 86100946
2-ethyl-1-hexylpyridin-1-ium fluoride
CID 171571226
1-butyl-2-propylpyridin-1-ium fluoride
CID 171569920

Frequently Asked Questions

What is the IUPAC name of 1-decyl-2-octylpyridin-1-ium chloride?
The IUPAC name of 1-decyl-2-octylpyridin-1-ium chloride (CID 67784709) is 1-decyl-2-octylpyridin-1-ium chloride.
What is the SMILES notation for 1-decyl-2-octylpyridin-1-ium chloride?
The canonical SMILES for 1-decyl-2-octylpyridin-1-ium chloride is CCCCCCCCCC[n+]1ccccc1CCCCCCCC.[Cl-].
What is the InChIKey of 1-decyl-2-octylpyridin-1-ium chloride?
The InChIKey is AJWATBOIHGCWHN-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H42N.ClH/c1-3-5-7-9-11-12-14-17-21-24-22-18-16-20-23(24)19-15-13-10-8-6-4-2;/h16,18,20,22H,3-15,17,19,21H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-decyl-2-octylpyridin-1-ium chloride?
1-decyl-2-octylpyridin-1-ium chloride has a molecular weight of 368.05 g/mol, XLogP of 4.02, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2-octylpyridin-1-ium chloride is sourced from PubChem (CID 67784709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).