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

C30H45NO2 — CID 19017193

IUPAC2-[4-(5-propoxypentyl)phenyl]-5-[(E)-undec-2-enoxy]pyridine
SMILESCCCCCCCC/C=C/COc1ccc(-c2ccc(CCCCCOCCC)cc2)nc1
InChIInChI=1S/C30H45NO2/c1-3-5-6-7-8-9-10-11-15-25-33-29-21-22-30(31-26-29)28-19-17-27(18-20-28)16-13-12-14-24-32-23-4-2/h11,15,17-22,26H,3-10,12-14,16,23-25H2,1-2H3/b15-11+
InChIKeyGYVYVPSXBDNHKR-RVDMUPIBSA-N
MW451.70 g/mol
LogP8.57
Rot. Bonds19

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

2-[4-(5-propoxypentyl)phenyl]-5-[(E)-undec-2-enoxy]pyridine (PubChem CID 19017193) has the molecular formula C30H45NO2 and a molecular weight of 451.70 g/mol. Its IUPAC name is 2-[4-(5-propoxypentyl)phenyl]-5-[(E)-undec-2-enoxy]pyridine.

Molecular Properties

Compound Name2-[4-(5-propoxypentyl)phenyl]-5-[(E)-undec-2-enoxy]pyridine
PubChem CID19017193
Molecular FormulaC30H45NO2
Molecular Weight451.70 g/mol
Exact Mass451.35
IUPAC Name2-[4-(5-propoxypentyl)phenyl]-5-[(E)-undec-2-enoxy]pyridine
SMILESCCCCCCCC/C=C/COc1ccc(-c2ccc(CCCCCOCCC)cc2)nc1
InChIInChI=1S/C30H45NO2/c1-3-5-6-7-8-9-10-11-15-25-33-29-21-22-30(31-26-29)28-19-17-27(18-20-28)16-13-12-14-24-32-23-4-2/h11,15,17-22,26H,3-10,12-14,16,23-25H2,1-2H3/b15-11+
InChIKeyGYVYVPSXBDNHKR-RVDMUPIBSA-N
XLogP8.57
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.70
LogP ≤ 58.57
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

5-[(E)-non-2-enoxy]-2-[4-(5-propoxypentyl)phenyl]pyridine
CID 19017124
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 2-[4-(5-propoxypentyl)phenyl]-5-[(E)-undec-2-enoxy]pyridine?
The IUPAC name of 2-[4-(5-propoxypentyl)phenyl]-5-[(E)-undec-2-enoxy]pyridine (CID 19017193) is 2-[4-(5-propoxypentyl)phenyl]-5-[(E)-undec-2-enoxy]pyridine.
What is the SMILES notation for 2-[4-(5-propoxypentyl)phenyl]-5-[(E)-undec-2-enoxy]pyridine?
The canonical SMILES for 2-[4-(5-propoxypentyl)phenyl]-5-[(E)-undec-2-enoxy]pyridine is CCCCCCCC/C=C/COc1ccc(-c2ccc(CCCCCOCCC)cc2)nc1.
What is the InChIKey of 2-[4-(5-propoxypentyl)phenyl]-5-[(E)-undec-2-enoxy]pyridine?
The InChIKey is GYVYVPSXBDNHKR-RVDMUPIBSA-N. The full InChI is InChI=1S/C30H45NO2/c1-3-5-6-7-8-9-10-11-15-25-33-29-21-22-30(31-26-29)28-19-17-27(18-20-28)16-13-12-14-24-32-23-4-2/h11,15,17-22,26H,3-10,12-14,16,23-25H2,1-2H3/b15-11+.
What are the key properties of 2-[4-(5-propoxypentyl)phenyl]-5-[(E)-undec-2-enoxy]pyridine?
2-[4-(5-propoxypentyl)phenyl]-5-[(E)-undec-2-enoxy]pyridine has a molecular weight of 451.70 g/mol, XLogP of 8.57, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-propoxypentyl)phenyl]-5-[(E)-undec-2-enoxy]pyridine is sourced from PubChem (CID 19017193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).