1-octadec-1-enylpyridin-1-ium chloride

C23H40ClN — CID 67784202

IUPAC1-octadec-1-enylpyridin-1-ium chloride
SMILESCCCCCCCCCCCCCCCCC=C[n+]1ccccc1.[Cl-]
InChIInChI=1S/C23H40N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24;/h17-23H,2-16H2,1H3;1H/q+1;/p-1
InChIKeyNDYNLPSSGUKZAF-UHFFFAOYSA-M
MW366.03 g/mol
LogP4.32
Rot. Bonds16

About 1-octadec-1-enylpyridin-1-ium chloride

1-octadec-1-enylpyridin-1-ium chloride (PubChem CID 67784202) has the molecular formula C23H40ClN and a molecular weight of 366.03 g/mol. Its IUPAC name is 1-octadec-1-enylpyridin-1-ium chloride.

Molecular Properties

Compound Name1-octadec-1-enylpyridin-1-ium chloride
PubChem CID67784202
Molecular FormulaC23H40ClN
Molecular Weight366.03 g/mol
Exact Mass365.28
IUPAC Name1-octadec-1-enylpyridin-1-ium chloride
SMILESCCCCCCCCCCCCCCCCC=C[n+]1ccccc1.[Cl-]
InChIInChI=1S/C23H40N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24;/h17-23H,2-16H2,1H3;1H/q+1;/p-1
InChIKeyNDYNLPSSGUKZAF-UHFFFAOYSA-M
XLogP4.32
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.03
LogP ≤ 54.32
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

3-undec-1-enyl-1H-imidazol-3-ium
CID 172745963
(Z)-docos-9-ene
CID 11690102
(E)-hexadec-6-ene
CID 5352260
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472

Frequently Asked Questions

What is the IUPAC name of 1-octadec-1-enylpyridin-1-ium chloride?
The IUPAC name of 1-octadec-1-enylpyridin-1-ium chloride (CID 67784202) is 1-octadec-1-enylpyridin-1-ium chloride.
What is the SMILES notation for 1-octadec-1-enylpyridin-1-ium chloride?
The canonical SMILES for 1-octadec-1-enylpyridin-1-ium chloride is CCCCCCCCCCCCCCCCC=C[n+]1ccccc1.[Cl-].
What is the InChIKey of 1-octadec-1-enylpyridin-1-ium chloride?
The InChIKey is NDYNLPSSGUKZAF-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H40N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24;/h17-23H,2-16H2,1H3;1H/q+1;/p-1.
What are the key properties of 1-octadec-1-enylpyridin-1-ium chloride?
1-octadec-1-enylpyridin-1-ium chloride has a molecular weight of 366.03 g/mol, XLogP of 4.32, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octadec-1-enylpyridin-1-ium chloride is sourced from PubChem (CID 67784202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).