[4-[4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-methoxyphenyl]butyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[4-[2-[3,4-di(prop-2-enoyloxy)cyclohexyl]oxyethoxy]-3-methoxyphenyl]phenyl] 6-prop-2-enoyloxynaphthalene-2-carboxylate;[4-[3-ethoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[4-(3-ethoxy-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate;3-[3-[2-[2-methoxy-4-(4-prop-2-enoyloxyphenyl)phenoxy]acetyl]oxy-5-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate

C158H154O42 — CID 158715310

About [4-[4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-methoxyphenyl]butyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[4-[2-[3,4-di(prop-2-enoyloxy)cyclohexyl]oxyethoxy]-3-methoxyphenyl]phenyl] 6-prop-2-enoyloxynaphthalene-2-carboxylate;[4-[3-ethoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[4-(3-ethoxy-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate;3-[3-[2-[2-methoxy-4-(4-prop-2-enoyloxyphenyl)phenoxy]acetyl]oxy-5-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate

[4-[4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-methoxyphenyl]butyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[4-[2-[3,4-di(prop-2-enoyloxy)cyclohexyl]oxyethoxy]-3-methoxyphenyl]phenyl] 6-prop-2-enoyloxynaphthalene-2-carboxylate;[4-[3-ethoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[4-(3-ethoxy-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate;3-[3-[2-[2-methoxy-4-(4-prop-2-enoyloxyphenyl)phenoxy]acetyl]oxy-5-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate (PubChem CID 158715310) has the molecular formula C158H154O42 and a molecular weight of 2724.93 g/mol. Its IUPAC name is [4-[4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-methoxyphenyl]butyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[4-[2-[3,4-di(prop-2-enoyloxy)cyclohexyl]oxyethoxy]-3-methoxyphenyl]phenyl] 6-prop-2-enoyloxynaphthalene-2-carboxylate;[4-[3-ethoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[4-(3-ethoxy-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate;3-[3-[2-[2-methoxy-4-(4-prop-2-enoyloxyphenyl)phenoxy]acetyl]oxy-5-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate.

Molecular Properties

• Compound Name: [4-[4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-methoxyphenyl]butyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[4-[2-[3,4-di(prop-2-enoyloxy)cyclohexyl]oxyethoxy]-3-methoxyphenyl]phenyl] 6-prop-2-enoyloxynaphthalene-2-carboxylate;[4-[3-ethoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[4-(3-ethoxy-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate;3-[3-[2-[2-methoxy-4-(4-prop-2-enoyloxyphenyl)phenoxy]acetyl]oxy-5-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate
• PubChem CID: 158715310
• Molecular Formula: C158H154O42
• Molecular Weight: 2724.93 g/mol
• Exact Mass: 2722.99
• IUPAC Name: [4-[4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-methoxyphenyl]butyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[4-[2-[3,4-di(prop-2-enoyloxy)cyclohexyl]oxyethoxy]-3-methoxyphenyl]phenyl] 6-prop-2-enoyloxynaphthalene-2-carboxylate;[4-[3-ethoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[4-(3-ethoxy-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate;3-[3-[2-[2-methoxy-4-(4-prop-2-enoyloxyphenyl)phenoxy]acetyl]oxy-5-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate
• SMILES: C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c(OCC)c2)cc1.C=C(C)C(=O)Oc1ccc(CCCCc2ccc(-c3ccc(OC(=O)C(=C)C)c(OC(=O)C(=C)C)c3)cc2OC)cc1OC(=O)C(=C)C.C=CC(=O)OCCCOc1cc(OCCCOC(=O)C=C)cc(OC(=O)COc2ccc(-c3ccc(OC(=O)C=C)cc3)cc2OC)c1.C=CC(=O)Oc1ccc(-c2ccc(OC(=O)C=C)c(OCC)c2)cc1.C=CC(=O)Oc1ccc2cc(C(=O)Oc3ccc(-c4ccc(OCCOC5CCC(OC(=O)C=C)C(OC(=O)C=C)C5)c(OC)c4)cc3)ccc2c1
• InChI: InChI=1S/C41H38O11.C39H40O9.C36H36O12.C22H22O5.C20H18O5/c1-5-38(42)49-33-16-12-27-22-30(9-8-28(27)23-33)41(45)50-31-14-10-26(11-15-31)29-13-18-34(36(24-29)46-4)48-21-20-47-32-17-19-35(51-39(43)6-2)37(25-32)52-40(44)7-3;1-23(2)36(40)45-31-18-14-27(20-34(31)47-38(42)25(5)6)12-10-11-13-28-15-16-29(21-33(28)44-9)30-17-19-32(46-37(41)24(3)4)35(22-30)48-39(43)26(7)8;1-5-33(37)44-18-8-16-42-28-21-29(43-17-9-19-45-34(38)6-2)23-30(22-28)48-36(40)24-46-31-15-12-26(20-32(31)41-4)25-10-13-27(14-11-25)47-35(39)7-3;1-6-25-20-13-17(9-12-19(20)27-22(24)15(4)5)16-7-10-18(11-8-16)26-21(23)14(2)3;1-4-19(21)24-16-10-7-14(8-11-16)15-9-12-17(25-20(22)5-2)18(13-15)23-6-3/h5-16,18,22-24,32,35,37H,1-3,17,19-21,25H2,4H3;14-22H,1,3,5,7,10-13H2,2,4,6,8-9H3;5-7,10-15,20-23H,1-3,8-9,16-19,24H2,4H3;7-13H,2,4,6H2,1,3,5H3;4-5,7-13H,1-2,6H2,3H3
• InChIKey: IJFUIZVRCBWPIA-UHFFFAOYSA-N
• XLogP: 28.91
• TPSA: 513.10 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 64
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2724.93
LogP ≤ 5	28.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 [4-[4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-methoxyphenyl]butyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[4-[2-[3,4-di(prop-2-enoyloxy)cyclohexyl]oxyethoxy]-3-methoxyphenyl]phenyl] 6-prop-2-enoyloxynaphthalene-2-carboxylate;[4-[3-ethoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[4-(3-ethoxy-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate;3-[3-[2-[2-methoxy-4-(4-prop-2-enoyloxyphenyl)phenoxy]acetyl]oxy-5-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate?

The IUPAC name of [4-[4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-methoxyphenyl]butyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[4-[2-[3,4-di(prop-2-enoyloxy)cyclohexyl]oxyethoxy]-3-methoxyphenyl]phenyl] 6-prop-2-enoyloxynaphthalene-2-carboxylate;[4-[3-ethoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[4-(3-ethoxy-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate;3-[3-[2-[2-methoxy-4-(4-prop-2-enoyloxyphenyl)phenoxy]acetyl]oxy-5-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate (CID 158715310) is [4-[4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-methoxyphenyl]butyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[4-[2-[3,4-di(prop-2-enoyloxy)cyclohexyl]oxyethoxy]-3-methoxyphenyl]phenyl] 6-prop-2-enoyloxynaphthalene-2-carboxylate;[4-[3-ethoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[4-(3-ethoxy-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate;3-[3-[2-[2-methoxy-4-(4-prop-2-enoyloxyphenyl)phenoxy]acetyl]oxy-5-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate.

What is the SMILES notation for [4-[4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-methoxyphenyl]butyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[4-[2-[3,4-di(prop-2-enoyloxy)cyclohexyl]oxyethoxy]-3-methoxyphenyl]phenyl] 6-prop-2-enoyloxynaphthalene-2-carboxylate;[4-[3-ethoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[4-(3-ethoxy-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate;3-[3-[2-[2-methoxy-4-(4-prop-2-enoyloxyphenyl)phenoxy]acetyl]oxy-5-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate?

The canonical SMILES for [4-[4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-methoxyphenyl]butyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[4-[2-[3,4-di(prop-2-enoyloxy)cyclohexyl]oxyethoxy]-3-methoxyphenyl]phenyl] 6-prop-2-enoyloxynaphthalene-2-carboxylate;[4-[3-ethoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[4-(3-ethoxy-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate;3-[3-[2-[2-methoxy-4-(4-prop-2-enoyloxyphenyl)phenoxy]acetyl]oxy-5-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate is C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c(OCC)c2)cc1.C=C(C)C(=O)Oc1ccc(CCCCc2ccc(-c3ccc(OC(=O)C(=C)C)c(OC(=O)C(=C)C)c3)cc2OC)cc1OC(=O)C(=C)C.C=CC(=O)OCCCOc1cc(OCCCOC(=O)C=C)cc(OC(=O)COc2ccc(-c3ccc(OC(=O)C=C)cc3)cc2OC)c1.C=CC(=O)Oc1ccc(-c2ccc(OC(=O)C=C)c(OCC)c2)cc1.C=CC(=O)Oc1ccc2cc(C(=O)Oc3ccc(-c4ccc(OCCOC5CCC(OC(=O)C=C)C(OC(=O)C=C)C5)c(OC)c4)cc3)ccc2c1.

What is the InChIKey of [4-[4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-methoxyphenyl]butyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[4-[2-[3,4-di(prop-2-enoyloxy)cyclohexyl]oxyethoxy]-3-methoxyphenyl]phenyl] 6-prop-2-enoyloxynaphthalene-2-carboxylate;[4-[3-ethoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[4-(3-ethoxy-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate;3-[3-[2-[2-methoxy-4-(4-prop-2-enoyloxyphenyl)phenoxy]acetyl]oxy-5-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate?

The InChIKey is IJFUIZVRCBWPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38O11.C39H40O9.C36H36O12.C22H22O5.C20H18O5/c1-5-38(42)49-33-16-12-27-22-30(9-8-28(27)23-33)41(45)50-31-14-10-26(11-15-31)29-13-18-34(36(24-29)46-4)48-21-20-47-32-17-19-35(51-39(43)6-2)37(25-32)52-40(44)7-3;1-23(2)36(40)45-31-18-14-27(20-34(31)47-38(42)25(5)6)12-10-11-13-28-15-16-29(21-33(28)44-9)30-17-19-32(46-37(41)24(3)4)35(22-30)48-39(43)26(7)8;1-5-33(37)44-18-8-16-42-28-21-29(43-17-9-19-45-34(38)6-2)23-30(22-28)48-36(40)24-46-31-15-12-26(20-32(31)41-4)25-10-13-27(14-11-25)47-35(39)7-3;1-6-25-20-13-17(9-12-19(20)27-22(24)15(4)5)16-7-10-18(11-8-16)26-21(23)14(2)3;1-4-19(21)24-16-10-7-14(8-11-16)15-9-12-17(25-20(22)5-2)18(13-15)23-6-3/h5-16,18,22-24,32,35,37H,1-3,17,19-21,25H2,4H3;14-22H,1,3,5,7,10-13H2,2,4,6,8-9H3;5-7,10-15,20-23H,1-3,8-9,16-19,24H2,4H3;7-13H,2,4,6H2,1,3,5H3;4-5,7-13H,1-2,6H2,3H3.

What are the key properties of [4-[4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-methoxyphenyl]butyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[4-[2-[3,4-di(prop-2-enoyloxy)cyclohexyl]oxyethoxy]-3-methoxyphenyl]phenyl] 6-prop-2-enoyloxynaphthalene-2-carboxylate;[4-[3-ethoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[4-(3-ethoxy-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate;3-[3-[2-[2-methoxy-4-(4-prop-2-enoyloxyphenyl)phenoxy]acetyl]oxy-5-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate?

[4-[4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-methoxyphenyl]butyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[4-[2-[3,4-di(prop-2-enoyloxy)cyclohexyl]oxyethoxy]-3-methoxyphenyl]phenyl] 6-prop-2-enoyloxynaphthalene-2-carboxylate;[4-[3-ethoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[4-(3-ethoxy-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate;3-[3-[2-[2-methoxy-4-(4-prop-2-enoyloxyphenyl)phenoxy]acetyl]oxy-5-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate has a molecular weight of 2724.93 g/mol, XLogP of 28.91, 64 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-methoxyphenyl]butyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[4-[2-[3,4-di(prop-2-enoyloxy)cyclohexyl]oxyethoxy]-3-methoxyphenyl]phenyl] 6-prop-2-enoyloxynaphthalene-2-carboxylate;[4-[3-ethoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[4-(3-ethoxy-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate;3-[3-[2-[2-methoxy-4-(4-prop-2-enoyloxyphenyl)phenoxy]acetyl]oxy-5-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate is sourced from PubChem (CID 158715310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).