6-O-decyl 2-O-nonyl pyridine-2,6-dicarboxylate

C26H43NO4 — CID 91725154

IUPAC6-O-decyl 2-O-nonyl pyridine-2,6-dicarboxylate
SMILESCCCCCCCCCCOC(=O)c1cccc(C(=O)OCCCCCCCCC)n1
InChIInChI=1S/C26H43NO4/c1-3-5-7-9-11-13-15-17-22-31-26(29)24-20-18-19-23(27-24)25(28)30-21-16-14-12-10-8-6-4-2/h18-20H,3-17,21-22H2,1-2H3
InChIKeyNISYRCLQPULNKF-UHFFFAOYSA-N
MW433.63 g/mol
LogP7.29
Rot. Bonds19

About 6-O-decyl 2-O-nonyl pyridine-2,6-dicarboxylate

6-O-decyl 2-O-nonyl pyridine-2,6-dicarboxylate (PubChem CID 91725154) has the molecular formula C26H43NO4 and a molecular weight of 433.63 g/mol. Its IUPAC name is 6-O-decyl 2-O-nonyl pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Name6-O-decyl 2-O-nonyl pyridine-2,6-dicarboxylate
PubChem CID91725154
Molecular FormulaC26H43NO4
Molecular Weight433.63 g/mol
Exact Mass433.32
IUPAC Name6-O-decyl 2-O-nonyl pyridine-2,6-dicarboxylate
SMILESCCCCCCCCCCOC(=O)c1cccc(C(=O)OCCCCCCCCC)n1
InChIInChI=1S/C26H43NO4/c1-3-5-7-9-11-13-15-17-22-31-26(29)24-20-18-19-23(27-24)25(28)30-21-16-14-12-10-8-6-4-2/h18-20H,3-17,21-22H2,1-2H3
InChIKeyNISYRCLQPULNKF-UHFFFAOYSA-N
XLogP7.29
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.63
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-O-butyl 6-O-dodecyl pyridine-2,6-dicarboxylate
CID 91735947
2-O-ethyl 6-O-tridecyl pyridine-2,6-dicarboxylate
CID 91732217
6-O-(2,2-dimethylpropyl) 2-O-undecyl pyridine-2,6-dicarboxylate
CID 91724904
6-O-(2,2-dimethylpropyl) 2-O-nonyl pyridine-2,6-dicarboxylate
CID 91724902
6-O-(2-methylpropyl) 2-O-undecyl pyridine-2,6-dicarboxylate
CID 91725058
6-O-(2,2-dimethylpropyl) 2-O-heptyl pyridine-2,6-dicarboxylate
CID 91712367
2-O-heptadecyl 6-O-(3-methylbutyl) pyridine-2,6-dicarboxylate
CID 91725100
2-O-octyl 6-O-(3-phenylpropyl) pyridine-2,6-dicarboxylate
CID 91710093
6-O-(2-ethylbutyl) 2-O-hexadecyl pyridine-2,6-dicarboxylate
CID 91724925
6-O-(2-ethylbutyl) 2-O-nonyl pyridine-2,6-dicarboxylate
CID 91724958
6-O-octan-2-yl 2-O-tridecyl pyridine-2,6-dicarboxylate
CID 91724940
6-O-octan-2-yl 2-O-octyl pyridine-2,6-dicarboxylate
CID 91725151

Frequently Asked Questions

What is the IUPAC name of 6-O-decyl 2-O-nonyl pyridine-2,6-dicarboxylate?
The IUPAC name of 6-O-decyl 2-O-nonyl pyridine-2,6-dicarboxylate (CID 91725154) is 6-O-decyl 2-O-nonyl pyridine-2,6-dicarboxylate.
What is the SMILES notation for 6-O-decyl 2-O-nonyl pyridine-2,6-dicarboxylate?
The canonical SMILES for 6-O-decyl 2-O-nonyl pyridine-2,6-dicarboxylate is CCCCCCCCCCOC(=O)c1cccc(C(=O)OCCCCCCCCC)n1.
What is the InChIKey of 6-O-decyl 2-O-nonyl pyridine-2,6-dicarboxylate?
The InChIKey is NISYRCLQPULNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43NO4/c1-3-5-7-9-11-13-15-17-22-31-26(29)24-20-18-19-23(27-24)25(28)30-21-16-14-12-10-8-6-4-2/h18-20H,3-17,21-22H2,1-2H3.
What are the key properties of 6-O-decyl 2-O-nonyl pyridine-2,6-dicarboxylate?
6-O-decyl 2-O-nonyl pyridine-2,6-dicarboxylate has a molecular weight of 433.63 g/mol, XLogP of 7.29, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-O-decyl 2-O-nonyl pyridine-2,6-dicarboxylate is sourced from PubChem (CID 91725154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).