bis(4-ethoxycarbonylphenyl) but-2-ynedioate;bis(4-ethylphenyl) but-2-ynedioate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-heptylphenyl) but-2-enedioate;bis(4-heptylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methoxyphenyl) but-2-ynedioate;bis(bis(4-methylphenyl) but-2-ynedioate);diphenyl but-2-ynedioate;[4-(4-ethylbenzoyl)oxycyclohexyl] 4-ethylbenzoate;bis([4-(4-methoxybenzoyl)oxycyclohexyl] 4-methoxybenzoate);bis([4-(4-methylbenzoyl)oxycyclohexyl] 4-methylbenzoate)

C384H424O84 — CID 159211886

IUPACbis(4-ethoxycarbonylphenyl) but-2-ynedioate;bis(4-ethylphenyl) but-2-ynedioate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-heptylphenyl) but-2-enedioate;bis(4-heptylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methoxyphenyl) but-2-ynedioate;bis(bis(4-methylphenyl) but-2-ynedioate);diphenyl but-2-ynedioate;[4-(4-ethylbenzoyl)oxycyclohexyl] 4-ethylbenzoate;bis([4-(4-methoxybenzoyl)oxycyclohexyl] 4-methoxybenzoate);bis([4-(4-methylbenzoyl)oxycyclohexyl] 4-methylbenzoate)
SMILESCCCCCCCOC(=O)c1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(C(=O)OCCCCCCC)cc3)CC2)cc1.CCCCCCCOC(=O)c1ccc(OC(=O)C=CC(=O)Oc2ccc(C(=O)OCCCCCCC)cc2)cc1.CCCCCCCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(CCCCCCC)cc3)CC2)cc1.CCCCCCCc1ccc(OC(=O)C=CC(=O)Oc2ccc(CCCCCCC)cc2)cc1.CCCCCCOc1ccc(OC(=O)C=CC(=O)Oc2ccc(OCCCCCC)cc2)cc1.CCOC(=O)c1ccc(OC(=O)C#CC(=O)Oc2ccc(C(=O)OCC)cc2)cc1.CCc1ccc(C(=O)OC2CCC(OC(=O)c3ccc(CC)cc3)CC2)cc1.CCc1ccc(OC(=O)C#CC(=O)Oc2ccc(CC)cc2)cc1.COc1ccc(C(=O)OC2CCC(OC(=O)c3ccc(OC)cc3)CC2)cc1.COc1ccc(C(=O)OC2CCC(OC(=O)c3ccc(OC)cc3)CC2)cc1.COc1ccc(OC(=O)C#CC(=O)Oc2ccc(OC)cc2)cc1.Cc1ccc(C(=O)OC2CCC(OC(=O)c3ccc(C)cc3)CC2)cc1.Cc1ccc(C(=O)OC2CCC(OC(=O)c3ccc(C)cc3)CC2)cc1.Cc1ccc(OC(=O)C#CC(=O)Oc2ccc(C)cc2)cc1.Cc1ccc(OC(=O)C#CC(=O)Oc2ccc(C)cc2)cc1.O=C(C#CC(=O)Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C36H48O8.C34H48O4.C32H40O8.C30H40O4.C28H36O6.C24H28O4.C22H18O8.2C22H24O6.2C22H24O4.C20H18O4.C18H14O6.2C18H14O4.C16H10O4/c1-3-5-7-9-11-25-41-33(37)27-17-21-31(22-18-27)43-35(39)29-13-15-30(16-14-29)36(40)44-32-23-19-28(20-24-32)34(38)42-26-12-10-8-6-4-2;1-3-5-7-9-11-13-27-15-23-31(24-16-27)37-33(35)29-19-21-30(22-20-29)34(36)38-32-25-17-28(18-26-32)14-12-10-8-6-4-2;1-3-5-7-9-11-23-37-31(35)25-13-17-27(18-14-25)39-29(33)21-22-30(34)40-28-19-15-26(16-20-28)32(36)38-24-12-10-8-6-4-2;1-3-5-7-9-11-13-25-15-19-27(20-16-25)33-29(31)23-24-30(32)34-28-21-17-26(18-22-28)14-12-10-8-6-4-2;1-3-5-7-9-21-31-23-11-15-25(16-12-23)33-27(29)19-20-28(30)34-26-17-13-24(14-18-26)32-22-10-8-6-4-2;1-3-17-5-9-19(10-6-17)23(25)27-21-13-15-22(16-14-21)28-24(26)20-11-7-18(4-2)8-12-20;1-3-27-21(25)15-5-9-17(10-6-15)29-19(23)13-14-20(24)30-18-11-7-16(8-12-18)22(26)28-4-2;2*1-25-17-7-3-15(4-8-17)21(23)27-19-11-13-20(14-12-19)28-22(24)16-5-9-18(26-2)10-6-16;2*1-15-3-7-17(8-4-15)21(23)25-19-11-13-20(14-12-19)26-22(24)18-9-5-16(2)6-10-18;1-3-15-5-9-17(10-6-15)23-19(21)13-14-20(22)24-18-11-7-16(4-2)8-12-18;1-21-13-3-7-15(8-4-13)23-17(19)11-12-18(20)24-16-9-5-14(22-2)6-10-16;2*1-13-3-7-15(8-4-13)21-17(19)11-12-18(20)22-16-9-5-14(2)6-10-16;17-15(19-13-7-3-1-4-8-13)11-12-16(18)20-14-9-5-2-6-10-14/h17-24,29-30H,3-16,25-26H2,1-2H3;15-18,23-26,29-30H,3-14,19-22H2,1-2H3;13-22H,3-12,23-24H2,1-2H3;15-24H,3-14H2,1-2H3;11-20H,3-10,21-22H2,1-2H3;5-12,21-22H,3-4,13-16H2,1-2H3;5-12H,3-4H2,1-2H3;2*3-10,19-20H,11-14H2,1-2H3;2*3-10,19-20H,11-14H2,1-2H3;5-12H,3-4H2,1-2H3;3-10H,1-2H3;2*3-10H,1-2H3;1-10H
InChIKeyKQOZQTLSSIIBBV-UHFFFAOYSA-N
MW6383.53 g/mol
LogP77.13
Rot. Bonds130

About bis(4-ethoxycarbonylphenyl) but-2-ynedioate;bis(4-ethylphenyl) but-2-ynedioate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-heptylphenyl) but-2-enedioate;bis(4-heptylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methoxyphenyl) but-2-ynedioate;bis(bis(4-methylphenyl) but-2-ynedioate);diphenyl but-2-ynedioate;[4-(4-ethylbenzoyl)oxycyclohexyl] 4-ethylbenzoate;bis([4-(4-methoxybenzoyl)oxycyclohexyl] 4-methoxybenzoate);bis([4-(4-methylbenzoyl)oxycyclohexyl] 4-methylbenzoate)

bis(4-ethoxycarbonylphenyl) but-2-ynedioate;bis(4-ethylphenyl) but-2-ynedioate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-heptylphenyl) but-2-enedioate;bis(4-heptylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methoxyphenyl) but-2-ynedioate;bis(bis(4-methylphenyl) but-2-ynedioate);diphenyl but-2-ynedioate;[4-(4-ethylbenzoyl)oxycyclohexyl] 4-ethylbenzoate;bis([4-(4-methoxybenzoyl)oxycyclohexyl] 4-methoxybenzoate);bis([4-(4-methylbenzoyl)oxycyclohexyl] 4-methylbenzoate) (PubChem CID 159211886) has the molecular formula C384H424O84 and a molecular weight of 6383.53 g/mol. Its IUPAC name is bis(4-ethoxycarbonylphenyl) but-2-ynedioate;bis(4-ethylphenyl) but-2-ynedioate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-heptylphenyl) but-2-enedioate;bis(4-heptylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methoxyphenyl) but-2-ynedioate;bis(bis(4-methylphenyl) but-2-ynedioate);diphenyl but-2-ynedioate;[4-(4-ethylbenzoyl)oxycyclohexyl] 4-ethylbenzoate;bis([4-(4-methoxybenzoyl)oxycyclohexyl] 4-methoxybenzoate);bis([4-(4-methylbenzoyl)oxycyclohexyl] 4-methylbenzoate).

Molecular Properties

Compound Namebis(4-ethoxycarbonylphenyl) but-2-ynedioate;bis(4-ethylphenyl) but-2-ynedioate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-heptylphenyl) but-2-enedioate;bis(4-heptylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methoxyphenyl) but-2-ynedioate;bis(bis(4-methylphenyl) but-2-ynedioate);diphenyl but-2-ynedioate;[4-(4-ethylbenzoyl)oxycyclohexyl] 4-ethylbenzoate;bis([4-(4-methoxybenzoyl)oxycyclohexyl] 4-methoxybenzoate);bis([4-(4-methylbenzoyl)oxycyclohexyl] 4-methylbenzoate)
PubChem CID159211886
Molecular FormulaC384H424O84
Molecular Weight6383.53 g/mol
Exact Mass6378.89
IUPAC Namebis(4-ethoxycarbonylphenyl) but-2-ynedioate;bis(4-ethylphenyl) but-2-ynedioate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-heptylphenyl) but-2-enedioate;bis(4-heptylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methoxyphenyl) but-2-ynedioate;bis(bis(4-methylphenyl) but-2-ynedioate);diphenyl but-2-ynedioate;[4-(4-ethylbenzoyl)oxycyclohexyl] 4-ethylbenzoate;bis([4-(4-methoxybenzoyl)oxycyclohexyl] 4-methoxybenzoate);bis([4-(4-methylbenzoyl)oxycyclohexyl] 4-methylbenzoate)
SMILESCCCCCCCOC(=O)c1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(C(=O)OCCCCCCC)cc3)CC2)cc1.CCCCCCCOC(=O)c1ccc(OC(=O)C=CC(=O)Oc2ccc(C(=O)OCCCCCCC)cc2)cc1.CCCCCCCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(CCCCCCC)cc3)CC2)cc1.CCCCCCCc1ccc(OC(=O)C=CC(=O)Oc2ccc(CCCCCCC)cc2)cc1.CCCCCCOc1ccc(OC(=O)C=CC(=O)Oc2ccc(OCCCCCC)cc2)cc1.CCOC(=O)c1ccc(OC(=O)C#CC(=O)Oc2ccc(C(=O)OCC)cc2)cc1.CCc1ccc(C(=O)OC2CCC(OC(=O)c3ccc(CC)cc3)CC2)cc1.CCc1ccc(OC(=O)C#CC(=O)Oc2ccc(CC)cc2)cc1.COc1ccc(C(=O)OC2CCC(OC(=O)c3ccc(OC)cc3)CC2)cc1.COc1ccc(C(=O)OC2CCC(OC(=O)c3ccc(OC)cc3)CC2)cc1.COc1ccc(OC(=O)C#CC(=O)Oc2ccc(OC)cc2)cc1.Cc1ccc(C(=O)OC2CCC(OC(=O)c3ccc(C)cc3)CC2)cc1.Cc1ccc(C(=O)OC2CCC(OC(=O)c3ccc(C)cc3)CC2)cc1.Cc1ccc(OC(=O)C#CC(=O)Oc2ccc(C)cc2)cc1.Cc1ccc(OC(=O)C#CC(=O)Oc2ccc(C)cc2)cc1.O=C(C#CC(=O)Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C36H48O8.C34H48O4.C32H40O8.C30H40O4.C28H36O6.C24H28O4.C22H18O8.2C22H24O6.2C22H24O4.C20H18O4.C18H14O6.2C18H14O4.C16H10O4/c1-3-5-7-9-11-25-41-33(37)27-17-21-31(22-18-27)43-35(39)29-13-15-30(16-14-29)36(40)44-32-23-19-28(20-24-32)34(38)42-26-12-10-8-6-4-2;1-3-5-7-9-11-13-27-15-23-31(24-16-27)37-33(35)29-19-21-30(22-20-29)34(36)38-32-25-17-28(18-26-32)14-12-10-8-6-4-2;1-3-5-7-9-11-23-37-31(35)25-13-17-27(18-14-25)39-29(33)21-22-30(34)40-28-19-15-26(16-20-28)32(36)38-24-12-10-8-6-4-2;1-3-5-7-9-11-13-25-15-19-27(20-16-25)33-29(31)23-24-30(32)34-28-21-17-26(18-22-28)14-12-10-8-6-4-2;1-3-5-7-9-21-31-23-11-15-25(16-12-23)33-27(29)19-20-28(30)34-26-17-13-24(14-18-26)32-22-10-8-6-4-2;1-3-17-5-9-19(10-6-17)23(25)27-21-13-15-22(16-14-21)28-24(26)20-11-7-18(4-2)8-12-20;1-3-27-21(25)15-5-9-17(10-6-15)29-19(23)13-14-20(24)30-18-11-7-16(8-12-18)22(26)28-4-2;2*1-25-17-7-3-15(4-8-17)21(23)27-19-11-13-20(14-12-19)28-22(24)16-5-9-18(26-2)10-6-16;2*1-15-3-7-17(8-4-15)21(23)25-19-11-13-20(14-12-19)26-22(24)18-9-5-16(2)6-10-18;1-3-15-5-9-17(10-6-15)23-19(21)13-14-20(22)24-18-11-7-16(4-2)8-12-18;1-21-13-3-7-15(8-4-13)23-17(19)11-12-18(20)24-16-9-5-14(22-2)6-10-16;2*1-13-3-7-15(8-4-13)21-17(19)11-12-18(20)22-16-9-5-14(2)6-10-16;17-15(19-13-7-3-1-4-8-13)11-12-16(18)20-14-9-5-2-6-10-14/h17-24,29-30H,3-16,25-26H2,1-2H3;15-18,23-26,29-30H,3-14,19-22H2,1-2H3;13-22H,3-12,23-24H2,1-2H3;15-24H,3-14H2,1-2H3;11-20H,3-10,21-22H2,1-2H3;5-12,21-22H,3-4,13-16H2,1-2H3;5-12H,3-4H2,1-2H3;2*3-10,19-20H,11-14H2,1-2H3;2*3-10,19-20H,11-14H2,1-2H3;5-12H,3-4H2,1-2H3;3-10H,1-2H3;2*3-10H,1-2H3;1-10H
InChIKeyKQOZQTLSSIIBBV-UHFFFAOYSA-N
XLogP77.13
TPSA1073.24 Ų
H-Bond Donors
H-Bond Acceptors84
Rotatable Bonds130
Heavy Atoms468
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006383.53
LogP ≤ 577.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1084

Analyze bis(4-ethoxycarbonylphenyl) but-2-ynedioate;bis(4-ethylphenyl) but-2-ynedioate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-heptylphenyl) but-2-enedioate;bis(4-heptylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methoxyphenyl) but-2-ynedioate;bis(bis(4-methylphenyl) but-2-ynedioate);diphenyl but-2-ynedioate;[4-(4-ethylbenzoyl)oxycyclohexyl] 4-ethylbenzoate;bis([4-(4-methoxybenzoyl)oxycyclohexyl] 4-methoxybenzoate);bis([4-(4-methylbenzoyl)oxycyclohexyl] 4-methylbenzoate) with MolForge

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Related Compounds

bis(4-ethoxycarbonylphenyl) but-2-ynedioate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-heptylphenyl) but-2-enedioate;bis(4-heptylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methoxyphenyl) but-2-ynedioate;[4-(4-hexanoyloxybenzoyl)oxycyclohexyl] 4-hexanoyloxybenzoate;[4-(4-octanoyloxybenzoyl)oxycyclohexyl] 4-octanoyloxybenzoate
CID 158951272
[4-(4-hexylphenoxy)carbonylcyclohexyl] 4-(6-prop-2-enoyloxyhexyl)benzoate
CID 118528796
bis(4-methylphenyl) but-2-ynedioate;diphenyl but-2-ynedioate;bis([4-(4-methoxybenzoyl)oxycyclohexyl] 4-methoxybenzoate)
CID 161478119
bis(4-ethoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis[4-(2-hydroxyethoxy)phenyl] cyclohexane-1,4-dicarboxylate;bis(4-methoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-octylphenyl) cyclohexane-1,4-dicarboxylate
CID 158933803
bis(4-ethylphenyl) benzene-1,4-dicarboxylate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptylphenyl) but-2-enedioate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methylphenyl) benzene-1,4-dicarboxylate;(4-cyanophenyl) 4-(hydroxymethyl)benzoate;tris((4-cyanophenyl) 4-methylbenzoate);4-O-(4-heptylphenyl) 1-O-(4-methylphenyl) benzene-1,4-dicarboxylate;(4-isocyanophenyl) 4-[4-(4-cyanophenyl)-4-oxobutanoyl]oxybenzoate;(4-methoxyphenyl) 4-methylbenzoate;(4-methylphenyl) 4-isocyanobenzoate
CID 162088747
[4-(4-ethylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;pentakis([4-(4-methylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate);[4-(4-pentylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 158853417
ethane;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-propylbenzoate
CID 162074025
(4-pentoxyphenyl) 4-hexylbenzoate;(4-pentylphenyl) 4-methylbenzoate;(4-pentylphenyl) 4-pentylbenzoate
CID 162088804
[4-(4-propylphenoxy)carbonylcyclohexyl] 4-propylbenzoate
CID 21053167
methoxymethane;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-propylbenzoate
CID 157170945
bis(4-heptoxycarbonylphenyl) (Z)-but-2-enedioate;1-O-[4-(4-cyanobenzoyl)phenyl] 4-O-[4-(4-isocyanophenoxy)carbonylphenyl] butanedioate;(4-cyanophenyl) 4-methoxybenzoate;bis((4-cyanophenyl) 4-methylbenzoate);(4-ethylphenyl) 4-(4-ethylbenzoyl)benzoate;(4-isocyanophenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl) 4-methylbenzoate;4-(4-methylbenzoyl)benzonitrile;(4-methylphenyl) 4-(4-heptylbenzoyl)benzoate
CID 159364639
7-[4-[4-(4-nonylphenoxy)carbonylphenoxy]carbonylphenoxy]heptyl 4-(4-heptylphenyl)benzoate
CID 102091630

Frequently Asked Questions

What is the IUPAC name of bis(4-ethoxycarbonylphenyl) but-2-ynedioate;bis(4-ethylphenyl) but-2-ynedioate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-heptylphenyl) but-2-enedioate;bis(4-heptylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methoxyphenyl) but-2-ynedioate;bis(bis(4-methylphenyl) but-2-ynedioate);diphenyl but-2-ynedioate;[4-(4-ethylbenzoyl)oxycyclohexyl] 4-ethylbenzoate;bis([4-(4-methoxybenzoyl)oxycyclohexyl] 4-methoxybenzoate);bis([4-(4-methylbenzoyl)oxycyclohexyl] 4-methylbenzoate)?
The IUPAC name of bis(4-ethoxycarbonylphenyl) but-2-ynedioate;bis(4-ethylphenyl) but-2-ynedioate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-heptylphenyl) but-2-enedioate;bis(4-heptylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methoxyphenyl) but-2-ynedioate;bis(bis(4-methylphenyl) but-2-ynedioate);diphenyl but-2-ynedioate;[4-(4-ethylbenzoyl)oxycyclohexyl] 4-ethylbenzoate;bis([4-(4-methoxybenzoyl)oxycyclohexyl] 4-methoxybenzoate);bis([4-(4-methylbenzoyl)oxycyclohexyl] 4-methylbenzoate) (CID 159211886) is bis(4-ethoxycarbonylphenyl) but-2-ynedioate;bis(4-ethylphenyl) but-2-ynedioate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-heptylphenyl) but-2-enedioate;bis(4-heptylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methoxyphenyl) but-2-ynedioate;bis(bis(4-methylphenyl) but-2-ynedioate);diphenyl but-2-ynedioate;[4-(4-ethylbenzoyl)oxycyclohexyl] 4-ethylbenzoate;bis([4-(4-methoxybenzoyl)oxycyclohexyl] 4-methoxybenzoate);bis([4-(4-methylbenzoyl)oxycyclohexyl] 4-methylbenzoate).
What is the SMILES notation for bis(4-ethoxycarbonylphenyl) but-2-ynedioate;bis(4-ethylphenyl) but-2-ynedioate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-heptylphenyl) but-2-enedioate;bis(4-heptylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methoxyphenyl) but-2-ynedioate;bis(bis(4-methylphenyl) but-2-ynedioate);diphenyl but-2-ynedioate;[4-(4-ethylbenzoyl)oxycyclohexyl] 4-ethylbenzoate;bis([4-(4-methoxybenzoyl)oxycyclohexyl] 4-methoxybenzoate);bis([4-(4-methylbenzoyl)oxycyclohexyl] 4-methylbenzoate)?
The canonical SMILES for bis(4-ethoxycarbonylphenyl) but-2-ynedioate;bis(4-ethylphenyl) but-2-ynedioate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-heptylphenyl) but-2-enedioate;bis(4-heptylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methoxyphenyl) but-2-ynedioate;bis(bis(4-methylphenyl) but-2-ynedioate);diphenyl but-2-ynedioate;[4-(4-ethylbenzoyl)oxycyclohexyl] 4-ethylbenzoate;bis([4-(4-methoxybenzoyl)oxycyclohexyl] 4-methoxybenzoate);bis([4-(4-methylbenzoyl)oxycyclohexyl] 4-methylbenzoate) is CCCCCCCOC(=O)c1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(C(=O)OCCCCCCC)cc3)CC2)cc1.CCCCCCCOC(=O)c1ccc(OC(=O)C=CC(=O)Oc2ccc(C(=O)OCCCCCCC)cc2)cc1.CCCCCCCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(CCCCCCC)cc3)CC2)cc1.CCCCCCCc1ccc(OC(=O)C=CC(=O)Oc2ccc(CCCCCCC)cc2)cc1.CCCCCCOc1ccc(OC(=O)C=CC(=O)Oc2ccc(OCCCCCC)cc2)cc1.CCOC(=O)c1ccc(OC(=O)C#CC(=O)Oc2ccc(C(=O)OCC)cc2)cc1.CCc1ccc(C(=O)OC2CCC(OC(=O)c3ccc(CC)cc3)CC2)cc1.CCc1ccc(OC(=O)C#CC(=O)Oc2ccc(CC)cc2)cc1.COc1ccc(C(=O)OC2CCC(OC(=O)c3ccc(OC)cc3)CC2)cc1.COc1ccc(C(=O)OC2CCC(OC(=O)c3ccc(OC)cc3)CC2)cc1.COc1ccc(OC(=O)C#CC(=O)Oc2ccc(OC)cc2)cc1.Cc1ccc(C(=O)OC2CCC(OC(=O)c3ccc(C)cc3)CC2)cc1.Cc1ccc(C(=O)OC2CCC(OC(=O)c3ccc(C)cc3)CC2)cc1.Cc1ccc(OC(=O)C#CC(=O)Oc2ccc(C)cc2)cc1.Cc1ccc(OC(=O)C#CC(=O)Oc2ccc(C)cc2)cc1.O=C(C#CC(=O)Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of bis(4-ethoxycarbonylphenyl) but-2-ynedioate;bis(4-ethylphenyl) but-2-ynedioate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-heptylphenyl) but-2-enedioate;bis(4-heptylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methoxyphenyl) but-2-ynedioate;bis(bis(4-methylphenyl) but-2-ynedioate);diphenyl but-2-ynedioate;[4-(4-ethylbenzoyl)oxycyclohexyl] 4-ethylbenzoate;bis([4-(4-methoxybenzoyl)oxycyclohexyl] 4-methoxybenzoate);bis([4-(4-methylbenzoyl)oxycyclohexyl] 4-methylbenzoate)?
The InChIKey is KQOZQTLSSIIBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48O8.C34H48O4.C32H40O8.C30H40O4.C28H36O6.C24H28O4.C22H18O8.2C22H24O6.2C22H24O4.C20H18O4.C18H14O6.2C18H14O4.C16H10O4/c1-3-5-7-9-11-25-41-33(37)27-17-21-31(22-18-27)43-35(39)29-13-15-30(16-14-29)36(40)44-32-23-19-28(20-24-32)34(38)42-26-12-10-8-6-4-2;1-3-5-7-9-11-13-27-15-23-31(24-16-27)37-33(35)29-19-21-30(22-20-29)34(36)38-32-25-17-28(18-26-32)14-12-10-8-6-4-2;1-3-5-7-9-11-23-37-31(35)25-13-17-27(18-14-25)39-29(33)21-22-30(34)40-28-19-15-26(16-20-28)32(36)38-24-12-10-8-6-4-2;1-3-5-7-9-11-13-25-15-19-27(20-16-25)33-29(31)23-24-30(32)34-28-21-17-26(18-22-28)14-12-10-8-6-4-2;1-3-5-7-9-21-31-23-11-15-25(16-12-23)33-27(29)19-20-28(30)34-26-17-13-24(14-18-26)32-22-10-8-6-4-2;1-3-17-5-9-19(10-6-17)23(25)27-21-13-15-22(16-14-21)28-24(26)20-11-7-18(4-2)8-12-20;1-3-27-21(25)15-5-9-17(10-6-15)29-19(23)13-14-20(24)30-18-11-7-16(8-12-18)22(26)28-4-2;2*1-25-17-7-3-15(4-8-17)21(23)27-19-11-13-20(14-12-19)28-22(24)16-5-9-18(26-2)10-6-16;2*1-15-3-7-17(8-4-15)21(23)25-19-11-13-20(14-12-19)26-22(24)18-9-5-16(2)6-10-18;1-3-15-5-9-17(10-6-15)23-19(21)13-14-20(22)24-18-11-7-16(4-2)8-12-18;1-21-13-3-7-15(8-4-13)23-17(19)11-12-18(20)24-16-9-5-14(22-2)6-10-16;2*1-13-3-7-15(8-4-13)21-17(19)11-12-18(20)22-16-9-5-14(2)6-10-16;17-15(19-13-7-3-1-4-8-13)11-12-16(18)20-14-9-5-2-6-10-14/h17-24,29-30H,3-16,25-26H2,1-2H3;15-18,23-26,29-30H,3-14,19-22H2,1-2H3;13-22H,3-12,23-24H2,1-2H3;15-24H,3-14H2,1-2H3;11-20H,3-10,21-22H2,1-2H3;5-12,21-22H,3-4,13-16H2,1-2H3;5-12H,3-4H2,1-2H3;2*3-10,19-20H,11-14H2,1-2H3;2*3-10,19-20H,11-14H2,1-2H3;5-12H,3-4H2,1-2H3;3-10H,1-2H3;2*3-10H,1-2H3;1-10H.
What are the key properties of bis(4-ethoxycarbonylphenyl) but-2-ynedioate;bis(4-ethylphenyl) but-2-ynedioate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-heptylphenyl) but-2-enedioate;bis(4-heptylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methoxyphenyl) but-2-ynedioate;bis(bis(4-methylphenyl) but-2-ynedioate);diphenyl but-2-ynedioate;[4-(4-ethylbenzoyl)oxycyclohexyl] 4-ethylbenzoate;bis([4-(4-methoxybenzoyl)oxycyclohexyl] 4-methoxybenzoate);bis([4-(4-methylbenzoyl)oxycyclohexyl] 4-methylbenzoate)?
bis(4-ethoxycarbonylphenyl) but-2-ynedioate;bis(4-ethylphenyl) but-2-ynedioate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-heptylphenyl) but-2-enedioate;bis(4-heptylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methoxyphenyl) but-2-ynedioate;bis(bis(4-methylphenyl) but-2-ynedioate);diphenyl but-2-ynedioate;[4-(4-ethylbenzoyl)oxycyclohexyl] 4-ethylbenzoate;bis([4-(4-methoxybenzoyl)oxycyclohexyl] 4-methoxybenzoate);bis([4-(4-methylbenzoyl)oxycyclohexyl] 4-methylbenzoate) has a molecular weight of 6383.53 g/mol, XLogP of 77.13, 130 rotatable bonds, 0 hydrogen bond donors, and 84 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-ethoxycarbonylphenyl) but-2-ynedioate;bis(4-ethylphenyl) but-2-ynedioate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-heptylphenyl) but-2-enedioate;bis(4-heptylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methoxyphenyl) but-2-ynedioate;bis(bis(4-methylphenyl) but-2-ynedioate);diphenyl but-2-ynedioate;[4-(4-ethylbenzoyl)oxycyclohexyl] 4-ethylbenzoate;bis([4-(4-methoxybenzoyl)oxycyclohexyl] 4-methoxybenzoate);bis([4-(4-methylbenzoyl)oxycyclohexyl] 4-methylbenzoate) is sourced from PubChem (CID 159211886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).