(E)-1-[2-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propyl]phenyl]-N-methoxymethanimine

C23H29NO3 — CID 23379236

About (E)-1-[2-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propyl]phenyl]-N-methoxymethanimine

(E)-1-[2-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propyl]phenyl]-N-methoxymethanimine (PubChem CID 23379236) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (E)-1-[2-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propyl]phenyl]-N-methoxymethanimine.

Molecular Properties

• Compound Name: (E)-1-[2-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propyl]phenyl]-N-methoxymethanimine
• PubChem CID: 23379236
• Molecular Formula: C23H29NO3
• Molecular Weight: 367.49 g/mol
• Exact Mass: 367.21
• IUPAC Name: (E)-1-[2-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propyl]phenyl]-N-methoxymethanimine
• SMILES: C/C=C/COc1cc(C)c(OCCCc2ccccc2/C=N/OC)c(C)c1
• InChI: InChI=1S/C23H29NO3/c1-5-6-13-26-22-15-18(2)23(19(3)16-22)27-14-9-12-20-10-7-8-11-21(20)17-24-25-4/h5-8,10-11,15-17H,9,12-14H2,1-4H3/b6-5+,24-17+
• InChIKey: WZNBZLBYZZBRTC-ZVLYUEHQSA-N
• XLogP: 5.25
• TPSA: 40.05 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	367.49
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propyl]phenyl]-N-methoxymethanimine?

The IUPAC name of (E)-1-[2-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propyl]phenyl]-N-methoxymethanimine (CID 23379236) is (E)-1-[2-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propyl]phenyl]-N-methoxymethanimine.

What is the SMILES notation for (E)-1-[2-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propyl]phenyl]-N-methoxymethanimine?

The canonical SMILES for (E)-1-[2-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propyl]phenyl]-N-methoxymethanimine is C/C=C/COc1cc(C)c(OCCCc2ccccc2/C=N/OC)c(C)c1.

What is the InChIKey of (E)-1-[2-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propyl]phenyl]-N-methoxymethanimine?

The InChIKey is WZNBZLBYZZBRTC-ZVLYUEHQSA-N. The full InChI is InChI=1S/C23H29NO3/c1-5-6-13-26-22-15-18(2)23(19(3)16-22)27-14-9-12-20-10-7-8-11-21(20)17-24-25-4/h5-8,10-11,15-17H,9,12-14H2,1-4H3/b6-5+,24-17+.

What are the key properties of (E)-1-[2-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propyl]phenyl]-N-methoxymethanimine?

(E)-1-[2-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propyl]phenyl]-N-methoxymethanimine has a molecular weight of 367.49 g/mol, XLogP of 5.25, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-[2-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propyl]phenyl]-N-methoxymethanimine is sourced from PubChem (CID 23379236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).