2-[4-[2-(2-methylprop-2-enoyloxy)-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]but-2-en-2-yl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate

C36H36O7 — CID 118975507

About 2-[4-[2-(2-methylprop-2-enoyloxy)-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]but-2-en-2-yl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate

2-[4-[2-(2-methylprop-2-enoyloxy)-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]but-2-en-2-yl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate (PubChem CID 118975507) has the molecular formula C36H36O7 and a molecular weight of 580.68 g/mol. Its IUPAC name is 2-[4-[2-(2-methylprop-2-enoyloxy)-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]but-2-en-2-yl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-[4-[2-(2-methylprop-2-enoyloxy)-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]but-2-en-2-yl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate
• PubChem CID: 118975507
• Molecular Formula: C36H36O7
• Molecular Weight: 580.68 g/mol
• Exact Mass: 580.25
• IUPAC Name: 2-[4-[2-(2-methylprop-2-enoyloxy)-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]but-2-en-2-yl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCOc1ccc(-c2ccc(/C(C)=C(\C)c3ccc(OC(=O)C(=C)C)cc3)cc2OC(=O)C(=C)C)cc1
• InChI: InChI=1S/C36H36O7/c1-22(2)34(37)41-20-19-40-30-14-11-28(12-15-30)32-18-13-29(21-33(32)43-36(39)24(5)6)26(8)25(7)27-9-16-31(17-10-27)42-35(38)23(3)4/h9-18,21H,1,3,5,19-20H2,2,4,6-8H3/b26-25+
• InChIKey: HNFGXRHBVIRSKE-OCEACIFDSA-N
• XLogP: 7.77
• TPSA: 88.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.68
LogP ≤ 5	7.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-[4-[2-(2-methylprop-2-enoyloxy)-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]but-2-en-2-yl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate?

The IUPAC name of 2-[4-[2-(2-methylprop-2-enoyloxy)-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]but-2-en-2-yl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate (CID 118975507) is 2-[4-[2-(2-methylprop-2-enoyloxy)-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]but-2-en-2-yl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate.

What is the SMILES notation for 2-[4-[2-(2-methylprop-2-enoyloxy)-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]but-2-en-2-yl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate?

The canonical SMILES for 2-[4-[2-(2-methylprop-2-enoyloxy)-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]but-2-en-2-yl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOc1ccc(-c2ccc(/C(C)=C(\C)c3ccc(OC(=O)C(=C)C)cc3)cc2OC(=O)C(=C)C)cc1.

What is the InChIKey of 2-[4-[2-(2-methylprop-2-enoyloxy)-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]but-2-en-2-yl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate?

The InChIKey is HNFGXRHBVIRSKE-OCEACIFDSA-N. The full InChI is InChI=1S/C36H36O7/c1-22(2)34(37)41-20-19-40-30-14-11-28(12-15-30)32-18-13-29(21-33(32)43-36(39)24(5)6)26(8)25(7)27-9-16-31(17-10-27)42-35(38)23(3)4/h9-18,21H,1,3,5,19-20H2,2,4,6-8H3/b26-25+.

What are the key properties of 2-[4-[2-(2-methylprop-2-enoyloxy)-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]but-2-en-2-yl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate?

2-[4-[2-(2-methylprop-2-enoyloxy)-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]but-2-en-2-yl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 580.68 g/mol, XLogP of 7.77, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-(2-methylprop-2-enoyloxy)-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]but-2-en-2-yl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 118975507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).