nonadecyl acetate;pyridine

C26H47NO2 — CID 70392562

IUPACnonadecyl acetate;pyridine
SMILESCCCCCCCCCCCCCCCCCCCOC(C)=O.c1ccncc1
InChIInChI=1S/C21H42O2.C5H5N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(2)22;1-2-4-6-5-3-1/h3-20H2,1-2H3;1-5H
InChIKeyXMJFOHLJZSOTBT-UHFFFAOYSA-N
MW405.67 g/mol
LogP8.28
Rot. Bonds18

About nonadecyl acetate;pyridine

nonadecyl acetate;pyridine (PubChem CID 70392562) has the molecular formula C26H47NO2 and a molecular weight of 405.67 g/mol. Its IUPAC name is nonadecyl acetate;pyridine.

Molecular Properties

Compound Namenonadecyl acetate;pyridine
PubChem CID70392562
Molecular FormulaC26H47NO2
Molecular Weight405.67 g/mol
Exact Mass405.36
IUPAC Namenonadecyl acetate;pyridine
SMILESCCCCCCCCCCCCCCCCCCCOC(C)=O.c1ccncc1
InChIInChI=1S/C21H42O2.C5H5N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(2)22;1-2-4-6-5-3-1/h3-20H2,1-2H3;1-5H
InChIKeyXMJFOHLJZSOTBT-UHFFFAOYSA-N
XLogP8.28
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.67
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 87556300
alumane;hexyl acetate
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azane;tetradecyl acetate
CID 87432458
hexane;propan-2-one;pyridine
CID 66842615
CID 162323537
CID 162323537
hexyl N-ethylcarbamate;pyridine
CID 137370460
magnesium;hydride;nonyl acetate
CID 174803218
ethanol;hexadecyl acetate
CID 87919670
calcium;hydride;octadecyl acetate
CID 174802798
ethene;nonyl acetate
CID 170451195
decyl acetate;ethyl acetate
CID 158679657
magnesium;hydride;pentyl acetate
CID 174803356

Frequently Asked Questions

What is the IUPAC name of nonadecyl acetate;pyridine?
The IUPAC name of nonadecyl acetate;pyridine (CID 70392562) is nonadecyl acetate;pyridine.
What is the SMILES notation for nonadecyl acetate;pyridine?
The canonical SMILES for nonadecyl acetate;pyridine is CCCCCCCCCCCCCCCCCCCOC(C)=O.c1ccncc1.
What is the InChIKey of nonadecyl acetate;pyridine?
The InChIKey is XMJFOHLJZSOTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O2.C5H5N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(2)22;1-2-4-6-5-3-1/h3-20H2,1-2H3;1-5H.
What are the key properties of nonadecyl acetate;pyridine?
nonadecyl acetate;pyridine has a molecular weight of 405.67 g/mol, XLogP of 8.28, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonadecyl acetate;pyridine is sourced from PubChem (CID 70392562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).