[3-[(E)-2-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate

C26H24O6 — CID 155004805

About [3-[(E)-2-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate

[3-[(E)-2-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate (PubChem CID 155004805) has the molecular formula C26H24O6 and a molecular weight of 432.47 g/mol. Its IUPAC name is [3-[(E)-2-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [3-[(E)-2-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
• PubChem CID: 155004805
• Molecular Formula: C26H24O6
• Molecular Weight: 432.47 g/mol
• Exact Mass: 432.16
• IUPAC Name: [3-[(E)-2-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)Oc1cccc(/C=C/c2cc(OC(=O)C(=C)C)cc(OC(=O)C(=C)C)c2)c1
• InChI: InChI=1S/C26H24O6/c1-16(2)24(27)30-21-9-7-8-19(12-21)10-11-20-13-22(31-25(28)17(3)4)15-23(14-20)32-26(29)18(5)6/h7-15H,1,3,5H2,2,4,6H3/b11-10+
• InChIKey: LAZUBUBBOGABPB-ZHACJKMWSA-N
• XLogP: 5.30
• TPSA: 78.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.47
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[(E)-2-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate?

The IUPAC name of [3-[(E)-2-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate (CID 155004805) is [3-[(E)-2-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate.

What is the SMILES notation for [3-[(E)-2-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate?

The canonical SMILES for [3-[(E)-2-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cccc(/C=C/c2cc(OC(=O)C(=C)C)cc(OC(=O)C(=C)C)c2)c1.

What is the InChIKey of [3-[(E)-2-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate?

The InChIKey is LAZUBUBBOGABPB-ZHACJKMWSA-N. The full InChI is InChI=1S/C26H24O6/c1-16(2)24(27)30-21-9-7-8-19(12-21)10-11-20-13-22(31-25(28)17(3)4)15-23(14-20)32-26(29)18(5)6/h7-15H,1,3,5H2,2,4,6H3/b11-10+.

What are the key properties of [3-[(E)-2-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate?

[3-[(E)-2-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate has a molecular weight of 432.47 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(E)-2-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 155004805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).