2-(2-methoxyethoxy)-4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyridine

C23H33NO2 — CID 5387556

IUPAC2-(2-methoxyethoxy)-4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyridine
SMILESCOCCOc1cc(C)cc(/C=C(C)/C=C/C2=C(C)CCCC2(C)C)n1
InChIInChI=1S/C23H33NO2/c1-17(9-10-21-19(3)8-7-11-23(21,4)5)14-20-15-18(2)16-22(24-20)26-13-12-25-6/h9-10,14-16H,7-8,11-13H2,1-6H3/b10-9+,17-14+
InChIKeyHNRHZJAVVSLQCH-XYJQQDCNSA-N
MW355.52 g/mol
LogP5.90
Rot. Bonds7

About 2-(2-methoxyethoxy)-4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyridine

2-(2-methoxyethoxy)-4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyridine (PubChem CID 5387556) has the molecular formula C23H33NO2 and a molecular weight of 355.52 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyridine.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyridine
PubChem CID5387556
Molecular FormulaC23H33NO2
Molecular Weight355.52 g/mol
Exact Mass355.25
IUPAC Name2-(2-methoxyethoxy)-4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyridine
SMILESCOCCOc1cc(C)cc(/C=C(C)/C=C/C2=C(C)CCCC2(C)C)n1
InChIInChI=1S/C23H33NO2/c1-17(9-10-21-19(3)8-7-11-23(21,4)5)14-20-15-18(2)16-22(24-20)26-13-12-25-6/h9-10,14-16H,7-8,11-13H2,1-6H3/b10-9+,17-14+
InChIKeyHNRHZJAVVSLQCH-XYJQQDCNSA-N
XLogP5.90
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.52
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyethoxy)-4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]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-methoxyethoxy)-4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyridine?
The IUPAC name of 2-(2-methoxyethoxy)-4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyridine (CID 5387556) is 2-(2-methoxyethoxy)-4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyridine.
What is the SMILES notation for 2-(2-methoxyethoxy)-4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyridine?
The canonical SMILES for 2-(2-methoxyethoxy)-4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyridine is COCCOc1cc(C)cc(/C=C(C)/C=C/C2=C(C)CCCC2(C)C)n1.
What is the InChIKey of 2-(2-methoxyethoxy)-4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyridine?
The InChIKey is HNRHZJAVVSLQCH-XYJQQDCNSA-N. The full InChI is InChI=1S/C23H33NO2/c1-17(9-10-21-19(3)8-7-11-23(21,4)5)14-20-15-18(2)16-22(24-20)26-13-12-25-6/h9-10,14-16H,7-8,11-13H2,1-6H3/b10-9+,17-14+.
What are the key properties of 2-(2-methoxyethoxy)-4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyridine?
2-(2-methoxyethoxy)-4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyridine has a molecular weight of 355.52 g/mol, XLogP of 5.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyridine is sourced from PubChem (CID 5387556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).