5-[(E)-non-2-enoxy]-2-[4-(5-propoxypentyl)phenyl]pyridine

C28H41NO2 — CID 19017124

IUPAC5-[(E)-non-2-enoxy]-2-[4-(5-propoxypentyl)phenyl]pyridine
SMILESCCCCCC/C=C/COc1ccc(-c2ccc(CCCCCOCCC)cc2)nc1
InChIInChI=1S/C28H41NO2/c1-3-5-6-7-8-9-13-23-31-27-19-20-28(29-24-27)26-17-15-25(16-18-26)14-11-10-12-22-30-21-4-2/h9,13,15-20,24H,3-8,10-12,14,21-23H2,1-2H3/b13-9+
InChIKeyFLKGGCIGDJIWKA-UKTHLTGXSA-N
MW423.64 g/mol
LogP7.79
Rot. Bonds17

About 5-[(E)-non-2-enoxy]-2-[4-(5-propoxypentyl)phenyl]pyridine

5-[(E)-non-2-enoxy]-2-[4-(5-propoxypentyl)phenyl]pyridine (PubChem CID 19017124) has the molecular formula C28H41NO2 and a molecular weight of 423.64 g/mol. Its IUPAC name is 5-[(E)-non-2-enoxy]-2-[4-(5-propoxypentyl)phenyl]pyridine.

Molecular Properties

Compound Name5-[(E)-non-2-enoxy]-2-[4-(5-propoxypentyl)phenyl]pyridine
PubChem CID19017124
Molecular FormulaC28H41NO2
Molecular Weight423.64 g/mol
Exact Mass423.31
IUPAC Name5-[(E)-non-2-enoxy]-2-[4-(5-propoxypentyl)phenyl]pyridine
SMILESCCCCCC/C=C/COc1ccc(-c2ccc(CCCCCOCCC)cc2)nc1
InChIInChI=1S/C28H41NO2/c1-3-5-6-7-8-9-13-23-31-27-19-20-28(29-24-27)26-17-15-25(16-18-26)14-11-10-12-22-30-21-4-2/h9,13,15-20,24H,3-8,10-12,14,21-23H2,1-2H3/b13-9+
InChIKeyFLKGGCIGDJIWKA-UKTHLTGXSA-N
XLogP7.79
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.64
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(5-propoxypentyl)phenyl]-5-[(E)-undec-2-enoxy]pyridine
CID 19017193
2-(4-octylphenyl)-5-(4-pentoxybutoxy)pyridine
CID 22445600
[6-[4-(5-propoxypentyl)phenyl]-3-pyridinyl] (E)-dec-4-enoate
CID 19017147
[6-[4-(5-propoxypentyl)phenyl]-3-pyridinyl] undec-4-enoate
CID 54525369
5-(5-ethoxypentoxy)-2-(4-nonylphenyl)pyridine
CID 22445574
2-(4-heptylphenyl)-5-propoxypyridine
CID 19841888
5-(4-propoxybutoxy)-2-[4-[(E)-undec-2-enoxy]phenyl]pyrimidine
CID 67681726
5-oct-2-enoxy-2-(4-octylphenyl)pyrimidine
CID 67893925
[6-[4-(5-propoxypentyl)phenyl]-3-pyridinyl] oct-4-enoate
CID 54182585
5-(6-methoxyhexoxy)-2-(4-octylphenyl)pyridine
CID 22445595
2-[4-(4-hexoxybutoxy)phenyl]-5-non-2-enoxypyrimidine
CID 54389257
5-[(E)-dodec-2-enoxy]-2-[4-(4-pentoxybutoxy)phenyl]pyrimidine
CID 67681607

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-non-2-enoxy]-2-[4-(5-propoxypentyl)phenyl]pyridine?
The IUPAC name of 5-[(E)-non-2-enoxy]-2-[4-(5-propoxypentyl)phenyl]pyridine (CID 19017124) is 5-[(E)-non-2-enoxy]-2-[4-(5-propoxypentyl)phenyl]pyridine.
What is the SMILES notation for 5-[(E)-non-2-enoxy]-2-[4-(5-propoxypentyl)phenyl]pyridine?
The canonical SMILES for 5-[(E)-non-2-enoxy]-2-[4-(5-propoxypentyl)phenyl]pyridine is CCCCCC/C=C/COc1ccc(-c2ccc(CCCCCOCCC)cc2)nc1.
What is the InChIKey of 5-[(E)-non-2-enoxy]-2-[4-(5-propoxypentyl)phenyl]pyridine?
The InChIKey is FLKGGCIGDJIWKA-UKTHLTGXSA-N. The full InChI is InChI=1S/C28H41NO2/c1-3-5-6-7-8-9-13-23-31-27-19-20-28(29-24-27)26-17-15-25(16-18-26)14-11-10-12-22-30-21-4-2/h9,13,15-20,24H,3-8,10-12,14,21-23H2,1-2H3/b13-9+.
What are the key properties of 5-[(E)-non-2-enoxy]-2-[4-(5-propoxypentyl)phenyl]pyridine?
5-[(E)-non-2-enoxy]-2-[4-(5-propoxypentyl)phenyl]pyridine has a molecular weight of 423.64 g/mol, XLogP of 7.79, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-non-2-enoxy]-2-[4-(5-propoxypentyl)phenyl]pyridine is sourced from PubChem (CID 19017124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).