octadecanoic acid;pyridine

C23H41NO2 — CID 67593140

IUPACoctadecanoic acid;pyridine
SMILESCCCCCCCCCCCCCCCCCC(=O)O.c1ccncc1
InChIInChI=1S/C18H36O2.C5H5N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-4-6-5-3-1/h2-17H2,1H3,(H,19,20);1-5H
InChIKeyFLIAPXFDJADWSF-UHFFFAOYSA-N
MW363.59 g/mol
LogP7.41
Rot. Bonds16

About octadecanoic acid;pyridine

octadecanoic acid;pyridine (PubChem CID 67593140) has the molecular formula C23H41NO2 and a molecular weight of 363.59 g/mol. Its IUPAC name is octadecanoic acid;pyridine.

Molecular Properties

Compound Nameoctadecanoic acid;pyridine
PubChem CID67593140
Molecular FormulaC23H41NO2
Molecular Weight363.59 g/mol
Exact Mass363.31
IUPAC Nameoctadecanoic acid;pyridine
SMILESCCCCCCCCCCCCCCCCCC(=O)O.c1ccncc1
InChIInChI=1S/C18H36O2.C5H5N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-4-6-5-3-1/h2-17H2,1H3,(H,19,20);1-5H
InChIKeyFLIAPXFDJADWSF-UHFFFAOYSA-N
XLogP7.41
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze octadecanoic acid;pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(dodecanoic acid);pyrazine
CID 139195059
benzene;decanoic acid
CID 159351150
benzene;hexadecanoic acid
CID 162199490
heptan-2-one;pyridine
CID 162006039
hexane;propan-2-one;pyridine
CID 66842615
methanol;tris(octanoic acid);titanium
CID 160869796
methanol;octadecanoic acid;zinc
CID 163303961
henicosane;tetracontanoic acid
CID 175935348
CID 131882435
CID 131882435
pentacosanoic acid
CID 10468
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521

Frequently Asked Questions

What is the IUPAC name of octadecanoic acid;pyridine?
The IUPAC name of octadecanoic acid;pyridine (CID 67593140) is octadecanoic acid;pyridine.
What is the SMILES notation for octadecanoic acid;pyridine?
The canonical SMILES for octadecanoic acid;pyridine is CCCCCCCCCCCCCCCCCC(=O)O.c1ccncc1.
What is the InChIKey of octadecanoic acid;pyridine?
The InChIKey is FLIAPXFDJADWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.C5H5N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-4-6-5-3-1/h2-17H2,1H3,(H,19,20);1-5H.
What are the key properties of octadecanoic acid;pyridine?
octadecanoic acid;pyridine has a molecular weight of 363.59 g/mol, XLogP of 7.41, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octadecanoic acid;pyridine is sourced from PubChem (CID 67593140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).