2-(2,5-dioxopyrrol-1-yl)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;2-(4-ethenylphenoxy)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(5,5,5-trifluoropentoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 4-[4-(4,4,4-trifluorobutoxy)phenyl]benzoate;[4-[(E)-3-[6-(2-methylprop-2-enoyloxy)hexoxy]-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate

C171H183F14NO35 — CID 160792999

About 2-(2,5-dioxopyrrol-1-yl)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;2-(4-ethenylphenoxy)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(5,5,5-trifluoropentoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 4-[4-(4,4,4-trifluorobutoxy)phenyl]benzoate;[4-[(E)-3-[6-(2-methylprop-2-enoyloxy)hexoxy]-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate

2-(2,5-dioxopyrrol-1-yl)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;2-(4-ethenylphenoxy)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(5,5,5-trifluoropentoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 4-[4-(4,4,4-trifluorobutoxy)phenyl]benzoate;[4-[(E)-3-[6-(2-methylprop-2-enoyloxy)hexoxy]-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate (PubChem CID 160792999) has the molecular formula C171H183F14NO35 and a molecular weight of 3078.29 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;2-(4-ethenylphenoxy)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(5,5,5-trifluoropentoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 4-[4-(4,4,4-trifluorobutoxy)phenyl]benzoate;[4-[(E)-3-[6-(2-methylprop-2-enoyloxy)hexoxy]-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate.

Molecular Properties

• Compound Name: 2-(2,5-dioxopyrrol-1-yl)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;2-(4-ethenylphenoxy)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(5,5,5-trifluoropentoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 4-[4-(4,4,4-trifluorobutoxy)phenyl]benzoate;[4-[(E)-3-[6-(2-methylprop-2-enoyloxy)hexoxy]-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate
• PubChem CID: 160792999
• Molecular Formula: C171H183F14NO35
• Molecular Weight: 3078.29 g/mol
• Exact Mass: 3076.23
• IUPAC Name: 2-(2,5-dioxopyrrol-1-yl)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;2-(4-ethenylphenoxy)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(5,5,5-trifluoropentoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 4-[4-(4,4,4-trifluorobutoxy)phenyl]benzoate;[4-[(E)-3-[6-(2-methylprop-2-enoyloxy)hexoxy]-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate
• SMILES: C=C(C)C(=O)OCCCCCCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)F)cc2)cc1.C=C(C)C(=O)OCCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(-c3ccc(OCCCC(F)(F)F)cc3)cc2)cc1.C=C(C)C(=O)OCCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)F)cc2F)cc1.C=C(C)C(=O)OCCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCCC(F)(F)F)cc2F)cc1.C=Cc1ccc(OCCOC(=O)/C=C/c2ccc(C3CCC(CCCCC)CC3)cc2)cc1.CCCCCC1CCC(c2ccc(/C=C/C(=O)OCCN3C(=O)C=CC3=O)cc2)CC1
• InChI: InChI=1S/C32H29F3O7.C30H33F3O7.C30H38O3.C27H26F4O7.C26H24F4O7.C26H33NO4/c1-22(2)30(37)41-21-20-40-29(36)17-6-23-4-13-28(14-5-23)42-31(38)26-9-7-24(8-10-26)25-11-15-27(16-12-25)39-19-3-18-32(33,34)35;1-22(2)28(35)39-20-6-4-3-5-19-38-27(34)17-10-23-8-13-26(14-9-23)40-29(36)24-11-15-25(16-12-24)37-21-7-18-30(31,32)33;1-3-5-6-7-25-8-15-27(16-9-25)28-17-10-26(11-18-28)14-21-30(31)33-23-22-32-29-19-12-24(4-2)13-20-29;1-18(2)25(33)37-16-15-36-24(32)12-7-19-5-8-20(9-6-19)38-26(34)22-11-10-21(17-23(22)28)35-14-4-3-13-27(29,30)31;1-17(2)24(32)36-15-14-35-23(31)11-6-18-4-7-19(8-5-18)37-25(33)21-10-9-20(16-22(21)27)34-13-3-12-26(28,29)30;1-2-3-4-5-20-6-11-22(12-7-20)23-13-8-21(9-14-23)10-17-26(30)31-19-18-27-24(28)15-16-25(27)29/h4-17H,1,3,18-21H2,2H3;8-17H,1,3-7,18-21H2,2H3;4,10-14,17-21,25,27H,2-3,5-9,15-16,22-23H2,1H3;5-12,17H,1,3-4,13-16H2,2H3;4-11,16H,1,3,12-15H2,2H3;8-10,13-17,20,22H,2-7,11-12,18-19H2,1H3/b17-6+;17-10+;21-14+;12-7+;11-6+;17-10+
• InChIKey: SCBKMVCNPCUBMC-CHPRIINQSA-N
• XLogP: 37.95
• TPSA: 451.73 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 76
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3078.29
LogP ≤ 5	37.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;2-(4-ethenylphenoxy)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(5,5,5-trifluoropentoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 4-[4-(4,4,4-trifluorobutoxy)phenyl]benzoate;[4-[(E)-3-[6-(2-methylprop-2-enoyloxy)hexoxy]-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate?

The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;2-(4-ethenylphenoxy)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(5,5,5-trifluoropentoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 4-[4-(4,4,4-trifluorobutoxy)phenyl]benzoate;[4-[(E)-3-[6-(2-methylprop-2-enoyloxy)hexoxy]-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate (CID 160792999) is 2-(2,5-dioxopyrrol-1-yl)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;2-(4-ethenylphenoxy)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(5,5,5-trifluoropentoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 4-[4-(4,4,4-trifluorobutoxy)phenyl]benzoate;[4-[(E)-3-[6-(2-methylprop-2-enoyloxy)hexoxy]-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate.

What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;2-(4-ethenylphenoxy)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(5,5,5-trifluoropentoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 4-[4-(4,4,4-trifluorobutoxy)phenyl]benzoate;[4-[(E)-3-[6-(2-methylprop-2-enoyloxy)hexoxy]-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate?

The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;2-(4-ethenylphenoxy)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(5,5,5-trifluoropentoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 4-[4-(4,4,4-trifluorobutoxy)phenyl]benzoate;[4-[(E)-3-[6-(2-methylprop-2-enoyloxy)hexoxy]-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate is C=C(C)C(=O)OCCCCCCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)F)cc2)cc1.C=C(C)C(=O)OCCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(-c3ccc(OCCCC(F)(F)F)cc3)cc2)cc1.C=C(C)C(=O)OCCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)F)cc2F)cc1.C=C(C)C(=O)OCCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCCC(F)(F)F)cc2F)cc1.C=Cc1ccc(OCCOC(=O)/C=C/c2ccc(C3CCC(CCCCC)CC3)cc2)cc1.CCCCCC1CCC(c2ccc(/C=C/C(=O)OCCN3C(=O)C=CC3=O)cc2)CC1.

What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;2-(4-ethenylphenoxy)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(5,5,5-trifluoropentoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 4-[4-(4,4,4-trifluorobutoxy)phenyl]benzoate;[4-[(E)-3-[6-(2-methylprop-2-enoyloxy)hexoxy]-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate?

The InChIKey is SCBKMVCNPCUBMC-CHPRIINQSA-N. The full InChI is InChI=1S/C32H29F3O7.C30H33F3O7.C30H38O3.C27H26F4O7.C26H24F4O7.C26H33NO4/c1-22(2)30(37)41-21-20-40-29(36)17-6-23-4-13-28(14-5-23)42-31(38)26-9-7-24(8-10-26)25-11-15-27(16-12-25)39-19-3-18-32(33,34)35;1-22(2)28(35)39-20-6-4-3-5-19-38-27(34)17-10-23-8-13-26(14-9-23)40-29(36)24-11-15-25(16-12-24)37-21-7-18-30(31,32)33;1-3-5-6-7-25-8-15-27(16-9-25)28-17-10-26(11-18-28)14-21-30(31)33-23-22-32-29-19-12-24(4-2)13-20-29;1-18(2)25(33)37-16-15-36-24(32)12-7-19-5-8-20(9-6-19)38-26(34)22-11-10-21(17-23(22)28)35-14-4-3-13-27(29,30)31;1-17(2)24(32)36-15-14-35-23(31)11-6-18-4-7-19(8-5-18)37-25(33)21-10-9-20(16-22(21)27)34-13-3-12-26(28,29)30;1-2-3-4-5-20-6-11-22(12-7-20)23-13-8-21(9-14-23)10-17-26(30)31-19-18-27-24(28)15-16-25(27)29/h4-17H,1,3,18-21H2,2H3;8-17H,1,3-7,18-21H2,2H3;4,10-14,17-21,25,27H,2-3,5-9,15-16,22-23H2,1H3;5-12,17H,1,3-4,13-16H2,2H3;4-11,16H,1,3,12-15H2,2H3;8-10,13-17,20,22H,2-7,11-12,18-19H2,1H3/b17-6+;17-10+;21-14+;12-7+;11-6+;17-10+.

What are the key properties of 2-(2,5-dioxopyrrol-1-yl)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;2-(4-ethenylphenoxy)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(5,5,5-trifluoropentoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 4-[4-(4,4,4-trifluorobutoxy)phenyl]benzoate;[4-[(E)-3-[6-(2-methylprop-2-enoyloxy)hexoxy]-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate?

2-(2,5-dioxopyrrol-1-yl)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;2-(4-ethenylphenoxy)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(5,5,5-trifluoropentoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 4-[4-(4,4,4-trifluorobutoxy)phenyl]benzoate;[4-[(E)-3-[6-(2-methylprop-2-enoyloxy)hexoxy]-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate has a molecular weight of 3078.29 g/mol, XLogP of 37.95, 76 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,5-dioxopyrrol-1-yl)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;2-(4-ethenylphenoxy)ethyl (E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(5,5,5-trifluoropentoxy)benzoate;[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 4-[4-(4,4,4-trifluorobutoxy)phenyl]benzoate;[4-[(E)-3-[6-(2-methylprop-2-enoyloxy)hexoxy]-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate is sourced from PubChem (CID 160792999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).