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;4-[(E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoyl]oxybutyl 2-methylprop-2-enoate

C199H223F14NO39 — CID 159102331

IUPAC2-(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;4-[(E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoyl]oxybutyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)F)cc2)cc1.C=C(C)C(=O)OCCCCOC(=O)/C=C/c1ccc(C2CCC(CCCCC)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
InChIInChI=1S/C32H29F3O7.C30H33F3O7.C30H38O3.C28H40O4.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;1-4-5-6-9-23-10-15-25(16-11-23)26-17-12-24(13-18-26)14-19-27(29)31-20-7-8-21-32-28(30)22(2)3;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;12-14,17-19,23,25H,2,4-11,15-16,20-21H2,1,3H3;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+;19-14+;12-7+;11-6+;17-10+
InChIKeyKDLDZRMAPOFGSR-SKTRNDQZSA-N
MW3518.91 g/mol
LogP44.94
Rot. Bonds89

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;4-[(E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoyl]oxybutyl 2-methylprop-2-enoate

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;4-[(E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoyl]oxybutyl 2-methylprop-2-enoate (PubChem CID 159102331) has the molecular formula C199H223F14NO39 and a molecular weight of 3518.91 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;4-[(E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoyl]oxybutyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(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;4-[(E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoyl]oxybutyl 2-methylprop-2-enoate
PubChem CID159102331
Molecular FormulaC199H223F14NO39
Molecular Weight3518.91 g/mol
Exact Mass3516.53
IUPAC Name2-(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;4-[(E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoyl]oxybutyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)F)cc2)cc1.C=C(C)C(=O)OCCCCOC(=O)/C=C/c1ccc(C2CCC(CCCCC)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
InChIInChI=1S/C32H29F3O7.C30H33F3O7.C30H38O3.C28H40O4.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;1-4-5-6-9-23-10-15-25(16-11-23)26-17-12-24(13-18-26)14-19-27(29)31-20-7-8-21-32-28(30)22(2)3;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;12-14,17-19,23,25H,2,4-11,15-16,20-21H2,1,3H3;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+;19-14+;12-7+;11-6+;17-10+
InChIKeyKDLDZRMAPOFGSR-SKTRNDQZSA-N
XLogP44.94
TPSA504.33 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds89
Heavy Atoms253
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003518.91
LogP ≤ 544.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

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'}

Analyze 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;4-[(E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoyl]oxybutyl 2-methylprop-2-enoate with MolForge

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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;4-[(E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoyl]oxybutyl 2-methylprop-2-enoate?
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;4-[(E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoyl]oxybutyl 2-methylprop-2-enoate (CID 159102331) 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;4-[(E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoyl]oxybutyl 2-methylprop-2-enoate.
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;4-[(E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoyl]oxybutyl 2-methylprop-2-enoate?
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;4-[(E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoyl]oxybutyl 2-methylprop-2-enoate 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)OCCCCOC(=O)/C=C/c1ccc(C2CCC(CCCCC)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;4-[(E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoyl]oxybutyl 2-methylprop-2-enoate?
The InChIKey is KDLDZRMAPOFGSR-SKTRNDQZSA-N. The full InChI is InChI=1S/C32H29F3O7.C30H33F3O7.C30H38O3.C28H40O4.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;1-4-5-6-9-23-10-15-25(16-11-23)26-17-12-24(13-18-26)14-19-27(29)31-20-7-8-21-32-28(30)22(2)3;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;12-14,17-19,23,25H,2,4-11,15-16,20-21H2,1,3H3;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+;19-14+;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;4-[(E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoyl]oxybutyl 2-methylprop-2-enoate?
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;4-[(E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoyl]oxybutyl 2-methylprop-2-enoate has a molecular weight of 3518.91 g/mol, XLogP of 44.94, 89 rotatable bonds, 0 hydrogen bond donors, and 39 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;4-[(E)-3-[4-(4-pentylcyclohexyl)phenyl]prop-2-enoyl]oxybutyl 2-methylprop-2-enoate is sourced from PubChem (CID 159102331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).