2-[2-[1-[4-[bis[4-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate

C49H64O15 — CID 58876667

About 2-[2-[1-[4-[bis[4-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate

2-[2-[1-[4-[bis[4-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 58876667) has the molecular formula C49H64O15 and a molecular weight of 893.04 g/mol. Its IUPAC name is 2-[2-[1-[4-[bis[4-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-[2-[1-[4-[bis[4-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
• PubChem CID: 58876667
• Molecular Formula: C49H64O15
• Molecular Weight: 893.04 g/mol
• Exact Mass: 892.42
• IUPAC Name: 2-[2-[1-[4-[bis[4-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCOCCOC(C)Oc1ccc(C(c2ccc(OC(C)OCCOCCOC(=O)C(=C)C)cc2)c2ccc(OC(C)OCCOCCOC(=O)C(=C)C)cc2)cc1
• InChI: InChI=1S/C49H64O15/c1-34(2)47(50)59-31-25-53-22-28-56-37(7)62-43-16-10-40(11-17-43)46(41-12-18-44(19-13-41)63-38(8)57-29-23-54-26-32-60-48(51)35(3)4)42-14-20-45(21-15-42)64-39(9)58-30-24-55-27-33-61-49(52)36(5)6/h10-21,37-39,46H,1,3,5,22-33H2,2,4,6-9H3
• InChIKey: LXXUKXRMVOTLPV-UHFFFAOYSA-N
• XLogP: 7.50
• TPSA: 161.97 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 33
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	893.04
LogP ≤ 5	7.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[4-[bis[4-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?

The IUPAC name of 2-[2-[1-[4-[bis[4-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate (CID 58876667) is 2-[2-[1-[4-[bis[4-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate.

What is the SMILES notation for 2-[2-[1-[4-[bis[4-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?

The canonical SMILES for 2-[2-[1-[4-[bis[4-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCOC(C)Oc1ccc(C(c2ccc(OC(C)OCCOCCOC(=O)C(=C)C)cc2)c2ccc(OC(C)OCCOCCOC(=O)C(=C)C)cc2)cc1.

What is the InChIKey of 2-[2-[1-[4-[bis[4-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?

The InChIKey is LXXUKXRMVOTLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H64O15/c1-34(2)47(50)59-31-25-53-22-28-56-37(7)62-43-16-10-40(11-17-43)46(41-12-18-44(19-13-41)63-38(8)57-29-23-54-26-32-60-48(51)35(3)4)42-14-20-45(21-15-42)64-39(9)58-30-24-55-27-33-61-49(52)36(5)6/h10-21,37-39,46H,1,3,5,22-33H2,2,4,6-9H3.

What are the key properties of 2-[2-[1-[4-[bis[4-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?

2-[2-[1-[4-[bis[4-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 893.04 g/mol, XLogP of 7.50, 33 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[1-[4-[bis[4-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 58876667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).