2-[4-[5-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]phenoxy]ethenyl 2-methylprop-2-enoate

C30H26O8 — CID 123543488

About 2-[4-[5-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]phenoxy]ethenyl 2-methylprop-2-enoate

2-[4-[5-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]phenoxy]ethenyl 2-methylprop-2-enoate (PubChem CID 123543488) has the molecular formula C30H26O8 and a molecular weight of 514.53 g/mol. Its IUPAC name is 2-[4-[5-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]phenoxy]ethenyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-[4-[5-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]phenoxy]ethenyl 2-methylprop-2-enoate
• PubChem CID: 123543488
• Molecular Formula: C30H26O8
• Molecular Weight: 514.53 g/mol
• Exact Mass: 514.16
• IUPAC Name: 2-[4-[5-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]phenoxy]ethenyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC=COc1ccc(-c2ccc(-c3cc(OC(=O)C(=C)C)cc(OC(=O)C(=C)C)c3)o2)cc1
• InChI: InChI=1S/C30H26O8/c1-18(2)28(31)35-14-13-34-23-9-7-21(8-10-23)26-11-12-27(38-26)22-15-24(36-29(32)19(3)4)17-25(16-22)37-30(33)20(5)6/h7-17H,1,3,5H2,2,4,6H3
• InChIKey: NQYXNQNGNKINKS-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 101.27 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.53
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]phenoxy]ethenyl 2-methylprop-2-enoate?

The IUPAC name of 2-[4-[5-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]phenoxy]ethenyl 2-methylprop-2-enoate (CID 123543488) is 2-[4-[5-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]phenoxy]ethenyl 2-methylprop-2-enoate.

What is the SMILES notation for 2-[4-[5-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]phenoxy]ethenyl 2-methylprop-2-enoate?

The canonical SMILES for 2-[4-[5-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]phenoxy]ethenyl 2-methylprop-2-enoate is C=C(C)C(=O)OC=COc1ccc(-c2ccc(-c3cc(OC(=O)C(=C)C)cc(OC(=O)C(=C)C)c3)o2)cc1.

What is the InChIKey of 2-[4-[5-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]phenoxy]ethenyl 2-methylprop-2-enoate?

The InChIKey is NQYXNQNGNKINKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O8/c1-18(2)28(31)35-14-13-34-23-9-7-21(8-10-23)26-11-12-27(38-26)22-15-24(36-29(32)19(3)4)17-25(16-22)37-30(33)20(5)6/h7-17H,1,3,5H2,2,4,6H3.

What are the key properties of 2-[4-[5-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]phenoxy]ethenyl 2-methylprop-2-enoate?

2-[4-[5-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]phenoxy]ethenyl 2-methylprop-2-enoate has a molecular weight of 514.53 g/mol, XLogP of 6.55, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]phenoxy]ethenyl 2-methylprop-2-enoate is sourced from PubChem (CID 123543488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).