2-(2,6-diethylphenyl)-5-(1-ethoxybutyl)-4-[(Z)-2-(methoxymethyl)pent-1-enyl]pyridine

C28H41NO2 — CID 66994184

IUPAC2-(2,6-diethylphenyl)-5-(1-ethoxybutyl)-4-[(Z)-2-(methoxymethyl)pent-1-enyl]pyridine
SMILESCCC/C(=C/c1cc(-c2c(CC)cccc2CC)ncc1C(CCC)OCC)COC
InChIInChI=1S/C28H41NO2/c1-7-13-21(20-30-6)17-24-18-26(28-22(9-3)15-12-16-23(28)10-4)29-19-25(24)27(14-8-2)31-11-5/h12,15-19,27H,7-11,13-14,20H2,1-6H3/b21-17-
InChIKeyKFXNZBGNCGNRKX-FXBPSFAMSA-N
MW423.64 g/mol
LogP7.58
Rot. Bonds13

About 2-(2,6-diethylphenyl)-5-(1-ethoxybutyl)-4-[(Z)-2-(methoxymethyl)pent-1-enyl]pyridine

2-(2,6-diethylphenyl)-5-(1-ethoxybutyl)-4-[(Z)-2-(methoxymethyl)pent-1-enyl]pyridine (PubChem CID 66994184) has the molecular formula C28H41NO2 and a molecular weight of 423.64 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-5-(1-ethoxybutyl)-4-[(Z)-2-(methoxymethyl)pent-1-enyl]pyridine.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-5-(1-ethoxybutyl)-4-[(Z)-2-(methoxymethyl)pent-1-enyl]pyridine
PubChem CID66994184
Molecular FormulaC28H41NO2
Molecular Weight423.64 g/mol
Exact Mass423.31
IUPAC Name2-(2,6-diethylphenyl)-5-(1-ethoxybutyl)-4-[(Z)-2-(methoxymethyl)pent-1-enyl]pyridine
SMILESCCC/C(=C/c1cc(-c2c(CC)cccc2CC)ncc1C(CCC)OCC)COC
InChIInChI=1S/C28H41NO2/c1-7-13-21(20-30-6)17-24-18-26(28-22(9-3)15-12-16-23(28)10-4)29-19-25(24)27(14-8-2)31-11-5/h12,15-19,27H,7-11,13-14,20H2,1-6H3/b21-17-
InChIKeyKFXNZBGNCGNRKX-FXBPSFAMSA-N
XLogP7.58
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.64
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,6-diethylphenyl)-5-(1-ethoxybutyl)-4-[(Z)-2-(methoxymethyl)pent-1-enyl]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylphenyl)-5-(1-ethoxybutyl)-4-[(Z)-2-(methoxymethyl)pent-1-enyl]pyridine?
The IUPAC name of 2-(2,6-diethylphenyl)-5-(1-ethoxybutyl)-4-[(Z)-2-(methoxymethyl)pent-1-enyl]pyridine (CID 66994184) is 2-(2,6-diethylphenyl)-5-(1-ethoxybutyl)-4-[(Z)-2-(methoxymethyl)pent-1-enyl]pyridine.
What is the SMILES notation for 2-(2,6-diethylphenyl)-5-(1-ethoxybutyl)-4-[(Z)-2-(methoxymethyl)pent-1-enyl]pyridine?
The canonical SMILES for 2-(2,6-diethylphenyl)-5-(1-ethoxybutyl)-4-[(Z)-2-(methoxymethyl)pent-1-enyl]pyridine is CCC/C(=C/c1cc(-c2c(CC)cccc2CC)ncc1C(CCC)OCC)COC.
What is the InChIKey of 2-(2,6-diethylphenyl)-5-(1-ethoxybutyl)-4-[(Z)-2-(methoxymethyl)pent-1-enyl]pyridine?
The InChIKey is KFXNZBGNCGNRKX-FXBPSFAMSA-N. The full InChI is InChI=1S/C28H41NO2/c1-7-13-21(20-30-6)17-24-18-26(28-22(9-3)15-12-16-23(28)10-4)29-19-25(24)27(14-8-2)31-11-5/h12,15-19,27H,7-11,13-14,20H2,1-6H3/b21-17-.
What are the key properties of 2-(2,6-diethylphenyl)-5-(1-ethoxybutyl)-4-[(Z)-2-(methoxymethyl)pent-1-enyl]pyridine?
2-(2,6-diethylphenyl)-5-(1-ethoxybutyl)-4-[(Z)-2-(methoxymethyl)pent-1-enyl]pyridine has a molecular weight of 423.64 g/mol, XLogP of 7.58, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylphenyl)-5-(1-ethoxybutyl)-4-[(Z)-2-(methoxymethyl)pent-1-enyl]pyridine is sourced from PubChem (CID 66994184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).