bis[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;cyclohexane-1,4-dicarboxylic acid;4-(2-hydroxyethyl)phenol;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(2-prop-2-enoyloxypropyl) butanedioate;1-hydroxypropan-2-yl prop-2-enoate;2-hydroxypropyl prop-2-enoate;methanesulfonyl chloride;oxolane-2,5-dione;4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoic acid;1-O-[2-[4-[1-[4-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexyl]ethenoxy]phenyl]ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;4-O-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoic acid;thionyl dichloride

C222H279Cl3O91S2 — CID 159400623

IUPACbis[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;cyclohexane-1,4-dicarboxylic acid;4-(2-hydroxyethyl)phenol;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(2-prop-2-enoyloxypropyl) butanedioate;1-hydroxypropan-2-yl prop-2-enoate;2-hydroxypropyl prop-2-enoate;methanesulfonyl chloride;oxolane-2,5-dione;4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoic acid;1-O-[2-[4-[1-[4-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexyl]ethenoxy]phenyl]ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;4-O-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoic acid;thionyl dichloride
SMILESC=CC(=O)OC(C)CO.C=CC(=O)OC(C)COC(=O)CCC(=O)O.C=CC(=O)OC(C)COC(=O)CCC(=O)OCCc1ccc(O)cc1.C=CC(=O)OC(C)COC(=O)CCC(=O)OCCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(CCOC(=O)CCC(=O)OCC(C)OC(=O)C=C)cc3)CC2)cc1.C=CC(=O)OCC(C)O.C=CC(=O)OCC(C)OC(=O)CCC(=O)O.C=CC(=O)OCC(C)OC(=O)CCC(=O)OCCc1ccc(O)cc1.C=CC(=O)OCC(C)OC(=O)CCC(=O)OCCc1ccc(OC(=C)C2CCC(C(=O)Oc3ccc(CCOC(=O)CCC(=O)OC(C)COC(=O)C=C)cc3)CC2)cc1.C=CC(=O)OCC(C)OC(=O)CCC(=O)OCCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(CCOC(=O)CCC(=O)OCC(C)OC(=O)C=C)cc3)CC2)cc1.CS(=O)(=O)Cl.O=C(O)C1CCC(C(=O)O)CC1.O=C1CCC(=O)O1.O=S(Cl)Cl.OCCc1ccc(O)cc1
InChIInChI=1S/C45H54O15.2C44H52O16.2C18H22O7.2C10H14O6.C8H12O4.C8H10O2.2C6H10O3.C4H4O3.CH3ClO2S.Cl2OS/c1-6-39(46)55-28-30(3)57-43(50)22-20-41(48)53-26-24-33-8-16-37(17-9-33)59-32(5)35-12-14-36(15-13-35)45(52)60-38-18-10-34(11-19-38)25-27-54-42(49)21-23-44(51)58-31(4)29-56-40(47)7-2;1-5-37(45)57-29(3)27-55-41(49)21-19-39(47)53-25-23-31-7-15-35(16-8-31)59-43(51)33-11-13-34(14-12-33)44(52)60-36-17-9-32(10-18-36)24-26-54-40(48)20-22-42(50)56-28-30(4)58-38(46)6-2;1-5-37(45)55-27-30(4)58-42(50)22-21-40(48)54-26-24-32-9-17-36(18-10-32)60-44(52)34-13-11-33(12-14-34)43(51)59-35-15-7-31(8-16-35)23-25-53-39(47)19-20-41(49)56-28-29(3)57-38(46)6-2;1-3-16(20)25-13(2)12-24-18(22)9-8-17(21)23-11-10-14-4-6-15(19)7-5-14;1-3-16(20)24-12-13(2)25-18(22)9-8-17(21)23-11-10-14-4-6-15(19)7-5-14;1-3-9(13)16-7(2)6-15-10(14)5-4-8(11)12;1-3-9(13)15-6-7(2)16-10(14)5-4-8(11)12;9-7(10)5-1-2-6(4-3-5)8(11)12;9-6-5-7-1-3-8(10)4-2-7;1-3-6(8)9-4-5(2)7;1-3-6(8)9-5(2)4-7;5-3-1-2-4(6)7-3;1-5(2,3)4;1-4(2)3/h6-11,16-19,30-31,35-36H,1-2,5,12-15,20-29H2,3-4H3;2*5-10,15-18,29-30,33-34H,1-2,11-14,19-28H2,3-4H3;2*3-7,13,19H,1,8-12H2,2H3;2*3,7H,1,4-6H2,2H3,(H,11,12);5-6H,1-4H2,(H,9,10)(H,11,12);1-4,9-10H,5-6H2;2*3,5,7H,1,4H2,2H3;1-2H2;1H3;
InChIKeyLNHHOGHKFGDONM-UHFFFAOYSA-N
MW4574.08 g/mol
LogP24.18
Rot. Bonds117

About bis[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;cyclohexane-1,4-dicarboxylic acid;4-(2-hydroxyethyl)phenol;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(2-prop-2-enoyloxypropyl) butanedioate;1-hydroxypropan-2-yl prop-2-enoate;2-hydroxypropyl prop-2-enoate;methanesulfonyl chloride;oxolane-2,5-dione;4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoic acid;1-O-[2-[4-[1-[4-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexyl]ethenoxy]phenyl]ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;4-O-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoic acid;thionyl dichloride

bis[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;cyclohexane-1,4-dicarboxylic acid;4-(2-hydroxyethyl)phenol;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(2-prop-2-enoyloxypropyl) butanedioate;1-hydroxypropan-2-yl prop-2-enoate;2-hydroxypropyl prop-2-enoate;methanesulfonyl chloride;oxolane-2,5-dione;4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoic acid;1-O-[2-[4-[1-[4-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexyl]ethenoxy]phenyl]ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;4-O-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoic acid;thionyl dichloride (PubChem CID 159400623) has the molecular formula C222H279Cl3O91S2 and a molecular weight of 4574.08 g/mol. Its IUPAC name is bis[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;cyclohexane-1,4-dicarboxylic acid;4-(2-hydroxyethyl)phenol;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(2-prop-2-enoyloxypropyl) butanedioate;1-hydroxypropan-2-yl prop-2-enoate;2-hydroxypropyl prop-2-enoate;methanesulfonyl chloride;oxolane-2,5-dione;4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoic acid;1-O-[2-[4-[1-[4-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexyl]ethenoxy]phenyl]ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;4-O-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoic acid;thionyl dichloride.

Molecular Properties

Compound Namebis[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;cyclohexane-1,4-dicarboxylic acid;4-(2-hydroxyethyl)phenol;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(2-prop-2-enoyloxypropyl) butanedioate;1-hydroxypropan-2-yl prop-2-enoate;2-hydroxypropyl prop-2-enoate;methanesulfonyl chloride;oxolane-2,5-dione;4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoic acid;1-O-[2-[4-[1-[4-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexyl]ethenoxy]phenyl]ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;4-O-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoic acid;thionyl dichloride
PubChem CID159400623
Molecular FormulaC222H279Cl3O91S2
Molecular Weight4574.08 g/mol
Exact Mass4569.57
IUPAC Namebis[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;cyclohexane-1,4-dicarboxylic acid;4-(2-hydroxyethyl)phenol;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(2-prop-2-enoyloxypropyl) butanedioate;1-hydroxypropan-2-yl prop-2-enoate;2-hydroxypropyl prop-2-enoate;methanesulfonyl chloride;oxolane-2,5-dione;4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoic acid;1-O-[2-[4-[1-[4-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexyl]ethenoxy]phenyl]ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;4-O-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoic acid;thionyl dichloride
SMILESC=CC(=O)OC(C)CO.C=CC(=O)OC(C)COC(=O)CCC(=O)O.C=CC(=O)OC(C)COC(=O)CCC(=O)OCCc1ccc(O)cc1.C=CC(=O)OC(C)COC(=O)CCC(=O)OCCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(CCOC(=O)CCC(=O)OCC(C)OC(=O)C=C)cc3)CC2)cc1.C=CC(=O)OCC(C)O.C=CC(=O)OCC(C)OC(=O)CCC(=O)O.C=CC(=O)OCC(C)OC(=O)CCC(=O)OCCc1ccc(O)cc1.C=CC(=O)OCC(C)OC(=O)CCC(=O)OCCc1ccc(OC(=C)C2CCC(C(=O)Oc3ccc(CCOC(=O)CCC(=O)OC(C)COC(=O)C=C)cc3)CC2)cc1.C=CC(=O)OCC(C)OC(=O)CCC(=O)OCCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(CCOC(=O)CCC(=O)OCC(C)OC(=O)C=C)cc3)CC2)cc1.CS(=O)(=O)Cl.O=C(O)C1CCC(C(=O)O)CC1.O=C1CCC(=O)O1.O=S(Cl)Cl.OCCc1ccc(O)cc1
InChIInChI=1S/C45H54O15.2C44H52O16.2C18H22O7.2C10H14O6.C8H12O4.C8H10O2.2C6H10O3.C4H4O3.CH3ClO2S.Cl2OS/c1-6-39(46)55-28-30(3)57-43(50)22-20-41(48)53-26-24-33-8-16-37(17-9-33)59-32(5)35-12-14-36(15-13-35)45(52)60-38-18-10-34(11-19-38)25-27-54-42(49)21-23-44(51)58-31(4)29-56-40(47)7-2;1-5-37(45)57-29(3)27-55-41(49)21-19-39(47)53-25-23-31-7-15-35(16-8-31)59-43(51)33-11-13-34(14-12-33)44(52)60-36-17-9-32(10-18-36)24-26-54-40(48)20-22-42(50)56-28-30(4)58-38(46)6-2;1-5-37(45)55-27-30(4)58-42(50)22-21-40(48)54-26-24-32-9-17-36(18-10-32)60-44(52)34-13-11-33(12-14-34)43(51)59-35-15-7-31(8-16-35)23-25-53-39(47)19-20-41(49)56-28-29(3)57-38(46)6-2;1-3-16(20)25-13(2)12-24-18(22)9-8-17(21)23-11-10-14-4-6-15(19)7-5-14;1-3-16(20)24-12-13(2)25-18(22)9-8-17(21)23-11-10-14-4-6-15(19)7-5-14;1-3-9(13)16-7(2)6-15-10(14)5-4-8(11)12;1-3-9(13)15-6-7(2)16-10(14)5-4-8(11)12;9-7(10)5-1-2-6(4-3-5)8(11)12;9-6-5-7-1-3-8(10)4-2-7;1-3-6(8)9-4-5(2)7;1-3-6(8)9-5(2)4-7;5-3-1-2-4(6)7-3;1-5(2,3)4;1-4(2)3/h6-11,16-19,30-31,35-36H,1-2,5,12-15,20-29H2,3-4H3;2*5-10,15-18,29-30,33-34H,1-2,11-14,19-28H2,3-4H3;2*3-7,13,19H,1,8-12H2,2H3;2*3,7H,1,4-6H2,2H3,(H,11,12);5-6H,1-4H2,(H,9,10)(H,11,12);1-4,9-10H,5-6H2;2*3,5,7H,1,4H2,2H3;1-2H2;1H3;
InChIKeyLNHHOGHKFGDONM-UHFFFAOYSA-N
XLogP24.18
TPSA1294.89 Ų
H-Bond Donors10
H-Bond Acceptors87
Rotatable Bonds117
Heavy Atoms318
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004574.08
LogP ≤ 524.18
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1087

Analyze bis[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;cyclohexane-1,4-dicarboxylic acid;4-(2-hydroxyethyl)phenol;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(2-prop-2-enoyloxypropyl) butanedioate;1-hydroxypropan-2-yl prop-2-enoate;2-hydroxypropyl prop-2-enoate;methanesulfonyl chloride;oxolane-2,5-dione;4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoic acid;1-O-[2-[4-[1-[4-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexyl]ethenoxy]phenyl]ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;4-O-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoic acid;thionyl dichloride with MolForge

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Related Compounds

bis[4-[2-[4-[(2R)-1-hydroxypropan-2-yl]oxy-4-oxobutanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;bis[4-[2-[4-[(2R)-1-(oxan-2-yloxy)propan-2-yl]oxy-4-oxobutanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;bis[4-[2-[4-oxo-4-[(2R)-1-prop-2-enoyloxypropan-2-yl]oxybutanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;carbanide;cyclohexane-1,4-dicarboxylic acid;4-(2-hydroxyethyl)phenol;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-[(2R)-1-(oxan-2-yloxy)propan-2-yl] butanedioate;methanesulfonyl chloride;(2R)-1-(oxan-2-yloxy)propan-2-ol;4-[(2R)-1-(oxan-2-yloxy)propan-2-yl]oxy-4-oxobutanoic acid;oxolane-2,5-dione;prop-2-enoyl chloride;thionyl dichloride;hydrochloride
CID 161385139
4-O-[3-methyl-4-[4-[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate
CID 140912147
4-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexane-1-carboxylic acid
CID 121288869
4-O-[2-(dicyanomethylidene)-5,6-dimethyl-4-[4-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzodithiol-7-yl] 1-O-[4-[2-[4-oxo-4-[1-(2-prop-2-enoyloxypropoxy)propan-2-yloxy]butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate
CID 121291065
1-O-(4-methylphenyl) 4-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate
CID 162495804
4-O-[(2Z)-2-[cyano(isocyano)methylidene]-4-[4-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzodithiol-7-yl] 1-O-[4-[2-[4-oxo-4-[2-(1-prop-2-enoyloxypropan-2-yloxy)propoxy]butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate
CID 140710904
4-O-[2-(dicyanomethylidene)-5-methyl-4-[4-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzodithiol-7-yl] 1-O-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate
CID 121291087
4-[4-[2-[4-(2-acetyloxyethoxy)-4-oxobutanoyl]oxyethyl]phenoxy]carbonylcyclohexane-1-carboxylic acid
CID 135188766
4-O-[4-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexanecarbonyl]oxyalumanyl 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate
CID 163438771
4-[4-(2-undec-10-enoyloxyethyl)phenoxy]carbonylcyclohexane-1-carboxylic acid
CID 121288900
1-O-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)propoxy]-4-oxobutanoyl]oxyethyl]phenyl] 4-O-(2,3,4,5-tetramethylphenyl) cyclohexane-1,4-dicarboxylate
CID 134236325
2-[[3-[1-[3-[butyl-[3-oxo-3-(2-prop-2-enoyloxypropoxy)propyl]amino]propanoyloxy]propan-2-yloxy]-3-oxopropyl]-[3-oxo-3-(1-prop-2-enoyloxypropan-2-yloxy)propyl]amino]ethyl 4-oxopentanoate;2-[3-[2-hydroxyethyl-[3-oxo-3-(1-prop-2-enoyloxypropan-2-yloxy)propyl]amino]propanoyloxy]propyl 3-[butyl-[3-oxo-3-(2-prop-2-enoyloxypropoxy)propyl]amino]propanoate;oxolane-2,5-dione
CID 159866055

Frequently Asked Questions

What is the IUPAC name of bis[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;cyclohexane-1,4-dicarboxylic acid;4-(2-hydroxyethyl)phenol;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(2-prop-2-enoyloxypropyl) butanedioate;1-hydroxypropan-2-yl prop-2-enoate;2-hydroxypropyl prop-2-enoate;methanesulfonyl chloride;oxolane-2,5-dione;4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoic acid;1-O-[2-[4-[1-[4-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexyl]ethenoxy]phenyl]ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;4-O-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoic acid;thionyl dichloride?
The IUPAC name of bis[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;cyclohexane-1,4-dicarboxylic acid;4-(2-hydroxyethyl)phenol;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(2-prop-2-enoyloxypropyl) butanedioate;1-hydroxypropan-2-yl prop-2-enoate;2-hydroxypropyl prop-2-enoate;methanesulfonyl chloride;oxolane-2,5-dione;4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoic acid;1-O-[2-[4-[1-[4-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexyl]ethenoxy]phenyl]ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;4-O-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoic acid;thionyl dichloride (CID 159400623) is bis[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;cyclohexane-1,4-dicarboxylic acid;4-(2-hydroxyethyl)phenol;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(2-prop-2-enoyloxypropyl) butanedioate;1-hydroxypropan-2-yl prop-2-enoate;2-hydroxypropyl prop-2-enoate;methanesulfonyl chloride;oxolane-2,5-dione;4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoic acid;1-O-[2-[4-[1-[4-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexyl]ethenoxy]phenyl]ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;4-O-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoic acid;thionyl dichloride.
What is the SMILES notation for bis[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;cyclohexane-1,4-dicarboxylic acid;4-(2-hydroxyethyl)phenol;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(2-prop-2-enoyloxypropyl) butanedioate;1-hydroxypropan-2-yl prop-2-enoate;2-hydroxypropyl prop-2-enoate;methanesulfonyl chloride;oxolane-2,5-dione;4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoic acid;1-O-[2-[4-[1-[4-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexyl]ethenoxy]phenyl]ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;4-O-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoic acid;thionyl dichloride?
The canonical SMILES for bis[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;cyclohexane-1,4-dicarboxylic acid;4-(2-hydroxyethyl)phenol;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(2-prop-2-enoyloxypropyl) butanedioate;1-hydroxypropan-2-yl prop-2-enoate;2-hydroxypropyl prop-2-enoate;methanesulfonyl chloride;oxolane-2,5-dione;4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoic acid;1-O-[2-[4-[1-[4-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexyl]ethenoxy]phenyl]ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;4-O-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoic acid;thionyl dichloride is C=CC(=O)OC(C)CO.C=CC(=O)OC(C)COC(=O)CCC(=O)O.C=CC(=O)OC(C)COC(=O)CCC(=O)OCCc1ccc(O)cc1.C=CC(=O)OC(C)COC(=O)CCC(=O)OCCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(CCOC(=O)CCC(=O)OCC(C)OC(=O)C=C)cc3)CC2)cc1.C=CC(=O)OCC(C)O.C=CC(=O)OCC(C)OC(=O)CCC(=O)O.C=CC(=O)OCC(C)OC(=O)CCC(=O)OCCc1ccc(O)cc1.C=CC(=O)OCC(C)OC(=O)CCC(=O)OCCc1ccc(OC(=C)C2CCC(C(=O)Oc3ccc(CCOC(=O)CCC(=O)OC(C)COC(=O)C=C)cc3)CC2)cc1.C=CC(=O)OCC(C)OC(=O)CCC(=O)OCCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(CCOC(=O)CCC(=O)OCC(C)OC(=O)C=C)cc3)CC2)cc1.CS(=O)(=O)Cl.O=C(O)C1CCC(C(=O)O)CC1.O=C1CCC(=O)O1.O=S(Cl)Cl.OCCc1ccc(O)cc1.
What is the InChIKey of bis[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;cyclohexane-1,4-dicarboxylic acid;4-(2-hydroxyethyl)phenol;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(2-prop-2-enoyloxypropyl) butanedioate;1-hydroxypropan-2-yl prop-2-enoate;2-hydroxypropyl prop-2-enoate;methanesulfonyl chloride;oxolane-2,5-dione;4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoic acid;1-O-[2-[4-[1-[4-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexyl]ethenoxy]phenyl]ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;4-O-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoic acid;thionyl dichloride?
The InChIKey is LNHHOGHKFGDONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H54O15.2C44H52O16.2C18H22O7.2C10H14O6.C8H12O4.C8H10O2.2C6H10O3.C4H4O3.CH3ClO2S.Cl2OS/c1-6-39(46)55-28-30(3)57-43(50)22-20-41(48)53-26-24-33-8-16-37(17-9-33)59-32(5)35-12-14-36(15-13-35)45(52)60-38-18-10-34(11-19-38)25-27-54-42(49)21-23-44(51)58-31(4)29-56-40(47)7-2;1-5-37(45)57-29(3)27-55-41(49)21-19-39(47)53-25-23-31-7-15-35(16-8-31)59-43(51)33-11-13-34(14-12-33)44(52)60-36-17-9-32(10-18-36)24-26-54-40(48)20-22-42(50)56-28-30(4)58-38(46)6-2;1-5-37(45)55-27-30(4)58-42(50)22-21-40(48)54-26-24-32-9-17-36(18-10-32)60-44(52)34-13-11-33(12-14-34)43(51)59-35-15-7-31(8-16-35)23-25-53-39(47)19-20-41(49)56-28-29(3)57-38(46)6-2;1-3-16(20)25-13(2)12-24-18(22)9-8-17(21)23-11-10-14-4-6-15(19)7-5-14;1-3-16(20)24-12-13(2)25-18(22)9-8-17(21)23-11-10-14-4-6-15(19)7-5-14;1-3-9(13)16-7(2)6-15-10(14)5-4-8(11)12;1-3-9(13)15-6-7(2)16-10(14)5-4-8(11)12;9-7(10)5-1-2-6(4-3-5)8(11)12;9-6-5-7-1-3-8(10)4-2-7;1-3-6(8)9-4-5(2)7;1-3-6(8)9-5(2)4-7;5-3-1-2-4(6)7-3;1-5(2,3)4;1-4(2)3/h6-11,16-19,30-31,35-36H,1-2,5,12-15,20-29H2,3-4H3;2*5-10,15-18,29-30,33-34H,1-2,11-14,19-28H2,3-4H3;2*3-7,13,19H,1,8-12H2,2H3;2*3,7H,1,4-6H2,2H3,(H,11,12);5-6H,1-4H2,(H,9,10)(H,11,12);1-4,9-10H,5-6H2;2*3,5,7H,1,4H2,2H3;1-2H2;1H3;.
What are the key properties of bis[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;cyclohexane-1,4-dicarboxylic acid;4-(2-hydroxyethyl)phenol;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(2-prop-2-enoyloxypropyl) butanedioate;1-hydroxypropan-2-yl prop-2-enoate;2-hydroxypropyl prop-2-enoate;methanesulfonyl chloride;oxolane-2,5-dione;4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoic acid;1-O-[2-[4-[1-[4-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexyl]ethenoxy]phenyl]ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;4-O-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoic acid;thionyl dichloride?
bis[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;cyclohexane-1,4-dicarboxylic acid;4-(2-hydroxyethyl)phenol;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(2-prop-2-enoyloxypropyl) butanedioate;1-hydroxypropan-2-yl prop-2-enoate;2-hydroxypropyl prop-2-enoate;methanesulfonyl chloride;oxolane-2,5-dione;4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoic acid;1-O-[2-[4-[1-[4-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexyl]ethenoxy]phenyl]ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;4-O-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoic acid;thionyl dichloride has a molecular weight of 4574.08 g/mol, XLogP of 24.18, 117 rotatable bonds, 10 hydrogen bond donors, and 87 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;cyclohexane-1,4-dicarboxylic acid;4-(2-hydroxyethyl)phenol;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;1-O-[2-(4-hydroxyphenyl)ethyl] 4-O-(2-prop-2-enoyloxypropyl) butanedioate;1-hydroxypropan-2-yl prop-2-enoate;2-hydroxypropyl prop-2-enoate;methanesulfonyl chloride;oxolane-2,5-dione;4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoic acid;1-O-[2-[4-[1-[4-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexyl]ethenoxy]phenyl]ethyl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;4-O-[4-[2-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxyethyl]phenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoic acid;thionyl dichloride is sourced from PubChem (CID 159400623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).