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

C36H34O12 — CID 123774805

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

2-[3-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]-5-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenoxy]ethenyl 2-methylprop-2-enoate (PubChem CID 123774805) has the molecular formula C36H34O12 and a molecular weight of 658.66 g/mol. Its IUPAC name is 2-[3-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]-5-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenoxy]ethenyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-[3-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]-5-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenoxy]ethenyl 2-methylprop-2-enoate
• PubChem CID: 123774805
• Molecular Formula: C36H34O12
• Molecular Weight: 658.66 g/mol
• Exact Mass: 658.21
• IUPAC Name: 2-[3-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]-5-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenoxy]ethenyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC=COc1cc(OC=COC(=O)C(=C)C)cc(-c2cc(OC=COC(=O)C(=C)C)cc(OC=COC(=O)C(=C)C)c2)c1
• InChI: InChI=1S/C36H34O12/c1-23(2)33(37)45-13-9-41-29-17-27(18-30(21-29)42-10-14-46-34(38)24(3)4)28-19-31(43-11-15-47-35(39)25(5)6)22-32(20-28)44-12-16-48-36(40)26(7)8/h9-22H,1,3,5,7H2,2,4,6,8H3
• InChIKey: GQWDDGHZQYUQKV-UHFFFAOYSA-N
• XLogP: 7.23
• TPSA: 142.12 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	658.66
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[3-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]-5-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenoxy]ethenyl 2-methylprop-2-enoate (CID 123774805) is 2-[3-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]-5-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenoxy]ethenyl 2-methylprop-2-enoate.

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

The canonical SMILES for 2-[3-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]-5-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenoxy]ethenyl 2-methylprop-2-enoate is C=C(C)C(=O)OC=COc1cc(OC=COC(=O)C(=C)C)cc(-c2cc(OC=COC(=O)C(=C)C)cc(OC=COC(=O)C(=C)C)c2)c1.

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

The InChIKey is GQWDDGHZQYUQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34O12/c1-23(2)33(37)45-13-9-41-29-17-27(18-30(21-29)42-10-14-46-34(38)24(3)4)28-19-31(43-11-15-47-35(39)25(5)6)22-32(20-28)44-12-16-48-36(40)26(7)8/h9-22H,1,3,5,7H2,2,4,6,8H3.

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

2-[3-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]-5-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenoxy]ethenyl 2-methylprop-2-enoate has a molecular weight of 658.66 g/mol, XLogP of 7.23, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]-5-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenoxy]ethenyl 2-methylprop-2-enoate is sourced from PubChem (CID 123774805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).