2-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[2-(2-methylprop-2-enoyloxy)ethyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]ethyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxymethyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxy)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl] 2-methylprop-2-enoate;3-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[3-(2-methylprop-2-enoyloxy)propyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate

C156H196F4O32 — CID 165093834

About 2-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[2-(2-methylprop-2-enoyloxy)ethyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]ethyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxymethyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxy)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl] 2-methylprop-2-enoate;3-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[3-(2-methylprop-2-enoyloxy)propyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate

2-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[2-(2-methylprop-2-enoyloxy)ethyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]ethyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxymethyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxy)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl] 2-methylprop-2-enoate;3-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[3-(2-methylprop-2-enoyloxy)propyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate (PubChem CID 165093834) has the molecular formula C156H196F4O32 and a molecular weight of 2659.24 g/mol. Its IUPAC name is 2-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[2-(2-methylprop-2-enoyloxy)ethyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]ethyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxymethyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxy)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl] 2-methylprop-2-enoate;3-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[3-(2-methylprop-2-enoyloxy)propyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[2-(2-methylprop-2-enoyloxy)ethyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]ethyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxymethyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxy)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl] 2-methylprop-2-enoate;3-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[3-(2-methylprop-2-enoyloxy)propyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate
• PubChem CID: 165093834
• Molecular Formula: C156H196F4O32
• Molecular Weight: 2659.24 g/mol
• Exact Mass: 2657.36
• IUPAC Name: 2-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[2-(2-methylprop-2-enoyloxy)ethyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]ethyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxymethyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxy)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl] 2-methylprop-2-enoate;3-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[3-(2-methylprop-2-enoyloxy)propyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCCc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2F)cc(CCCOC(=O)C(=C)C)c1OCC1COC(=O)OC1.C=C(C)C(=O)OCCc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2F)cc(CCOC(=O)C(=C)C)c1OCC1COC(=O)OC1.C=C(C)C(=O)OCc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2F)cc(COC(=O)C(=C)C)c1OCC1COC(=O)OC1.C=C(C)C(=O)Oc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2F)cc(OC(=O)C(=C)C)c1OCC1COC(=O)OC1
• InChI: InChI=1S/C42H55FO8.C40H51FO8.C38H47FO8.C36H43FO8/c1-6-7-8-11-30-14-16-32(17-15-30)33-18-19-37(38(43)24-33)36-22-34(12-9-20-47-40(44)28(2)3)39(49-25-31-26-50-42(46)51-27-31)35(23-36)13-10-21-48-41(45)29(4)5;1-6-7-8-9-28-10-12-30(13-11-28)31-14-15-35(36(41)22-31)34-20-32(16-18-45-38(42)26(2)3)37(47-23-29-24-48-40(44)49-25-29)33(21-34)17-19-46-39(43)27(4)5;1-6-7-8-9-26-10-12-28(13-11-26)29-14-15-33(34(39)18-29)30-16-31(22-44-36(40)24(2)3)35(32(17-30)23-45-37(41)25(4)5)43-19-27-20-46-38(42)47-21-27;1-6-7-8-9-24-10-12-26(13-11-24)27-14-15-29(30(37)16-27)28-17-31(44-34(38)22(2)3)33(32(18-28)45-35(39)23(4)5)41-19-25-20-42-36(40)43-21-25/h18-19,22-24,30-32H,2,4,6-17,20-21,25-27H2,1,3,5H3;14-15,20-22,28-30H,2,4,6-13,16-19,23-25H2,1,3,5H3;14-18,26-28H,2,4,6-13,19-23H2,1,3,5H3;14-18,24-26H,2,4,6-13,19-21H2,1,3,5H3
• InChIKey: XDZRJSKVAUIPDC-UHFFFAOYSA-N
• XLogP: 35.66
• TPSA: 389.44 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 64
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2659.24
LogP ≤ 5	35.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

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 2-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[2-(2-methylprop-2-enoyloxy)ethyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]ethyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxymethyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxy)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl] 2-methylprop-2-enoate;3-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[3-(2-methylprop-2-enoyloxy)propyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate?

The IUPAC name of 2-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[2-(2-methylprop-2-enoyloxy)ethyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]ethyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxymethyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxy)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl] 2-methylprop-2-enoate;3-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[3-(2-methylprop-2-enoyloxy)propyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate (CID 165093834) is 2-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[2-(2-methylprop-2-enoyloxy)ethyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]ethyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxymethyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxy)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl] 2-methylprop-2-enoate;3-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[3-(2-methylprop-2-enoyloxy)propyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate.

What is the SMILES notation for 2-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[2-(2-methylprop-2-enoyloxy)ethyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]ethyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxymethyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxy)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl] 2-methylprop-2-enoate;3-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[3-(2-methylprop-2-enoyloxy)propyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate?

The canonical SMILES for 2-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[2-(2-methylprop-2-enoyloxy)ethyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]ethyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxymethyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxy)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl] 2-methylprop-2-enoate;3-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[3-(2-methylprop-2-enoyloxy)propyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2F)cc(CCCOC(=O)C(=C)C)c1OCC1COC(=O)OC1.C=C(C)C(=O)OCCc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2F)cc(CCOC(=O)C(=C)C)c1OCC1COC(=O)OC1.C=C(C)C(=O)OCc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2F)cc(COC(=O)C(=C)C)c1OCC1COC(=O)OC1.C=C(C)C(=O)Oc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2F)cc(OC(=O)C(=C)C)c1OCC1COC(=O)OC1.

What is the InChIKey of 2-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[2-(2-methylprop-2-enoyloxy)ethyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]ethyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxymethyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxy)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl] 2-methylprop-2-enoate;3-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[3-(2-methylprop-2-enoyloxy)propyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate?

The InChIKey is XDZRJSKVAUIPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H55FO8.C40H51FO8.C38H47FO8.C36H43FO8/c1-6-7-8-11-30-14-16-32(17-15-30)33-18-19-37(38(43)24-33)36-22-34(12-9-20-47-40(44)28(2)3)39(49-25-31-26-50-42(46)51-27-31)35(23-36)13-10-21-48-41(45)29(4)5;1-6-7-8-9-28-10-12-30(13-11-28)31-14-15-35(36(41)22-31)34-20-32(16-18-45-38(42)26(2)3)37(47-23-29-24-48-40(44)49-25-29)33(21-34)17-19-46-39(43)27(4)5;1-6-7-8-9-26-10-12-28(13-11-26)29-14-15-33(34(39)18-29)30-16-31(22-44-36(40)24(2)3)35(32(17-30)23-45-37(41)25(4)5)43-19-27-20-46-38(42)47-21-27;1-6-7-8-9-24-10-12-26(13-11-24)27-14-15-29(30(37)16-27)28-17-31(44-34(38)22(2)3)33(32(18-28)45-35(39)23(4)5)41-19-25-20-42-36(40)43-21-25/h18-19,22-24,30-32H,2,4,6-17,20-21,25-27H2,1,3,5H3;14-15,20-22,28-30H,2,4,6-13,16-19,23-25H2,1,3,5H3;14-18,26-28H,2,4,6-13,19-23H2,1,3,5H3;14-18,24-26H,2,4,6-13,19-21H2,1,3,5H3.

What are the key properties of 2-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[2-(2-methylprop-2-enoyloxy)ethyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]ethyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxymethyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxy)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl] 2-methylprop-2-enoate;3-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[3-(2-methylprop-2-enoyloxy)propyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate?

2-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[2-(2-methylprop-2-enoyloxy)ethyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]ethyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxymethyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxy)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl] 2-methylprop-2-enoate;3-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[3-(2-methylprop-2-enoyloxy)propyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate has a molecular weight of 2659.24 g/mol, XLogP of 35.66, 64 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[2-(2-methylprop-2-enoyloxy)ethyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]ethyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxymethyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-(2-methylprop-2-enoyloxy)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl] 2-methylprop-2-enoate;3-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[3-(2-methylprop-2-enoyloxy)propyl]-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 165093834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).