methane;(4-methoxyphenyl) 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate

C242H292N6O59S2 — CID 172971485

IUPACmethane;(4-methoxyphenyl) 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
SMILESC.C.C.C.C.C.C.C.C=CC(=C)OCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCOC(=O)C=C)cc3)c(C)c2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C3CCC(CCC)CC3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC)cc2)cc1.C=CC(=O)OCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCOC(=O)C=C)cc3)c(C)c2)cc1.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(COc3ccc(OCC4CCC(C(=O)Oc5ccc(OCOC(=O)C=C)cc5)CC4)c(/C=N/N(CCOCCOC)c4nc5ccccc5s4)c3)CC2)cc1.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(COc3ccc(OCC4CCC(C(=O)Oc5ccc(OCOC(=O)C=C)cc5)CC4)c(/C=N/N(CCOCCOCCO)c4nc5ccccc5s4)c3)CC2)cc1
InChIInChI=1S/C56H63N3O15S.C55H61N3O14S.C36H38O9.C33H32O10.C31H40O5.C23H26O6.8CH4/c1-3-52(61)71-37-69-44-17-21-46(22-18-44)73-54(63)41-13-9-39(10-14-41)35-67-48-25-26-50(43(33-48)34-57-59(27-29-65-31-32-66-30-28-60)56-58-49-7-5-6-8-51(49)75-56)68-36-40-11-15-42(16-12-40)55(64)74-47-23-19-45(20-24-47)70-38-72-53(62)4-2;1-4-51(59)69-36-67-43-18-22-45(23-19-43)71-53(61)40-14-10-38(11-15-40)34-65-47-26-27-49(42(32-47)33-56-58(28-29-64-31-30-63-3)55-57-48-8-6-7-9-50(48)73-55)66-35-39-12-16-41(17-13-39)54(62)72-46-24-20-44(21-25-46)68-37-70-52(60)5-2;1-5-27(4)40-21-7-8-22-41-30-15-11-28(12-16-30)35(38)44-32-19-20-33(26(3)25-32)45-36(39)29-13-17-31(18-14-29)42-23-9-10-24-43-34(37)6-2;1-4-30(34)40-20-6-18-38-26-12-8-24(9-13-26)32(36)42-28-16-17-29(23(3)22-28)43-33(37)25-10-14-27(15-11-25)39-19-7-21-41-31(35)5-2;1-3-9-24-10-12-25(13-11-24)26-14-20-29(21-15-26)36-31(33)27-16-18-28(19-17-27)34-22-7-5-6-8-23-35-30(32)4-2;1-3-22(24)28-17-7-5-4-6-16-27-20-10-8-18(9-11-20)23(25)29-21-14-12-19(26-2)13-15-21;;;;;;;;/h3-8,17-26,33-34,39-42,60H,1-2,9-16,27-32,35-38H2;4-9,18-27,32-33,38-41H,1-2,10-17,28-31,34-37H2,3H3;5-6,11-20,25H,1-2,4,7-10,21-24H2,3H3;4-5,8-17,22H,1-2,6-7,18-21H2,3H3;4,14-21,24-25H,2-3,5-13,22-23H2,1H3;3,8-15H,1,4-7,16-17H2,2H3;8*1H4/b57-34+;56-33+;;;;;;;;;;;;
InChIKeyJWZCAPKAXLYTFU-OPICXDAVSA-N
MW4293.11 g/mol
LogP48.33
Rot. Bonds117

About methane;(4-methoxyphenyl) 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate

methane;(4-methoxyphenyl) 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate (PubChem CID 172971485) has the molecular formula C242H292N6O59S2 and a molecular weight of 4293.11 g/mol. Its IUPAC name is methane;(4-methoxyphenyl) 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate.

Molecular Properties

Compound Namemethane;(4-methoxyphenyl) 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
PubChem CID172971485
Molecular FormulaC242H292N6O59S2
Molecular Weight4293.11 g/mol
Exact Mass4289.95
IUPAC Namemethane;(4-methoxyphenyl) 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
SMILESC.C.C.C.C.C.C.C.C=CC(=C)OCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCOC(=O)C=C)cc3)c(C)c2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C3CCC(CCC)CC3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC)cc2)cc1.C=CC(=O)OCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCOC(=O)C=C)cc3)c(C)c2)cc1.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(COc3ccc(OCC4CCC(C(=O)Oc5ccc(OCOC(=O)C=C)cc5)CC4)c(/C=N/N(CCOCCOC)c4nc5ccccc5s4)c3)CC2)cc1.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(COc3ccc(OCC4CCC(C(=O)Oc5ccc(OCOC(=O)C=C)cc5)CC4)c(/C=N/N(CCOCCOCCO)c4nc5ccccc5s4)c3)CC2)cc1
InChIInChI=1S/C56H63N3O15S.C55H61N3O14S.C36H38O9.C33H32O10.C31H40O5.C23H26O6.8CH4/c1-3-52(61)71-37-69-44-17-21-46(22-18-44)73-54(63)41-13-9-39(10-14-41)35-67-48-25-26-50(43(33-48)34-57-59(27-29-65-31-32-66-30-28-60)56-58-49-7-5-6-8-51(49)75-56)68-36-40-11-15-42(16-12-40)55(64)74-47-23-19-45(20-24-47)70-38-72-53(62)4-2;1-4-51(59)69-36-67-43-18-22-45(23-19-43)71-53(61)40-14-10-38(11-15-40)34-65-47-26-27-49(42(32-47)33-56-58(28-29-64-31-30-63-3)55-57-48-8-6-7-9-50(48)73-55)66-35-39-12-16-41(17-13-39)54(62)72-46-24-20-44(21-25-46)68-37-70-52(60)5-2;1-5-27(4)40-21-7-8-22-41-30-15-11-28(12-16-30)35(38)44-32-19-20-33(26(3)25-32)45-36(39)29-13-17-31(18-14-29)42-23-9-10-24-43-34(37)6-2;1-4-30(34)40-20-6-18-38-26-12-8-24(9-13-26)32(36)42-28-16-17-29(23(3)22-28)43-33(37)25-10-14-27(15-11-25)39-19-7-21-41-31(35)5-2;1-3-9-24-10-12-25(13-11-24)26-14-20-29(21-15-26)36-31(33)27-16-18-28(19-17-27)34-22-7-5-6-8-23-35-30(32)4-2;1-3-22(24)28-17-7-5-4-6-16-27-20-10-8-18(9-11-20)23(25)29-21-14-12-19(26-2)13-15-21;;;;;;;;/h3-8,17-26,33-34,39-42,60H,1-2,9-16,27-32,35-38H2;4-9,18-27,32-33,38-41H,1-2,10-17,28-31,34-37H2,3H3;5-6,11-20,25H,1-2,4,7-10,21-24H2,3H3;4-5,8-17,22H,1-2,6-7,18-21H2,3H3;4,14-21,24-25H,2-3,5-13,22-23H2,1H3;3,8-15H,1,4-7,16-17H2,2H3;8*1H4/b57-34+;56-33+;;;;;;;;;;;;
InChIKeyJWZCAPKAXLYTFU-OPICXDAVSA-N
XLogP48.33
TPSA761.51 Ų
H-Bond Donors1
H-Bond Acceptors67
Rotatable Bonds117
Heavy Atoms309
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004293.11
LogP ≤ 548.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1067

Analyze methane;(4-methoxyphenyl) 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate with MolForge

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Related Compounds

[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate
CID 130417133
methane;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[5-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-2-methyl-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(2-prop-2-enoyloxyethyl)hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate
CID 172948891
[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[[4-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(2-prop-2-enoyloxyethyl)hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(3-prop-2-enoyloxypropoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(3-prop-2-enoyloxypropoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate
CID 172923832
[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate
CID 129146598
[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[[4-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(2-methoxyethoxymethyl)hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(6-prop-2-enoyloxyhexyl)hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(3-prop-2-enoyloxypropoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[[4-[4-(3-prop-2-enoyloxypropoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate
CID 172935110
4-O-[2-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonyl]cyclohexyl]cyclohexanecarbonyl]oxyphenyl] 1-O-[2-(2-prop-2-enoyloxyethoxy)ethyl] cyclohexane-1,4-dicarboxylate;4-O-[2-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxyphenyl] 1-O-(4-prop-2-enoyloxybutyl) cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[4-[4-(3-prop-2-enoyloxypropoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(3-prop-2-enoyloxypropoxy)phenyl] cyclohexane-1,4-dicarboxylate;[4-(4-prop-2-enoyloxybutoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(4-prop-2-enoyloxybutoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate
CID 172944882
[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[[4-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate
CID 172937553
4-O-[2-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl] 1-O-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl] cyclohexane-1,4-dicarboxylate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 1-O-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-(4-propylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate
CID 172938730
[2-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 165160122
2-[3-[(E)-[1,3-benzothiazol-2-yl(heptyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl]ethyl 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-[[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(2-prop-2-enoyloxyethyl)hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate
CID 172950196
[4-[2-(2-hydroxyethoxy)ethoxy]phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[[4-[4-[2-(2-hydroxyethoxy)ethoxy]phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate
CID 130426231
4-O-[2-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-(4-propylcyclohexyl)phenyl] 1-O-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl] cyclohexane-1,4-dicarboxylate
CID 122419885

Frequently Asked Questions

What is the IUPAC name of methane;(4-methoxyphenyl) 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate?
The IUPAC name of methane;(4-methoxyphenyl) 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate (CID 172971485) is methane;(4-methoxyphenyl) 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate.
What is the SMILES notation for methane;(4-methoxyphenyl) 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate?
The canonical SMILES for methane;(4-methoxyphenyl) 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate is C.C.C.C.C.C.C.C.C=CC(=C)OCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCOC(=O)C=C)cc3)c(C)c2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C3CCC(CCC)CC3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC)cc2)cc1.C=CC(=O)OCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCOC(=O)C=C)cc3)c(C)c2)cc1.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(COc3ccc(OCC4CCC(C(=O)Oc5ccc(OCOC(=O)C=C)cc5)CC4)c(/C=N/N(CCOCCOC)c4nc5ccccc5s4)c3)CC2)cc1.C=CC(=O)OCOc1ccc(OC(=O)C2CCC(COc3ccc(OCC4CCC(C(=O)Oc5ccc(OCOC(=O)C=C)cc5)CC4)c(/C=N/N(CCOCCOCCO)c4nc5ccccc5s4)c3)CC2)cc1.
What is the InChIKey of methane;(4-methoxyphenyl) 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate?
The InChIKey is JWZCAPKAXLYTFU-OPICXDAVSA-N. The full InChI is InChI=1S/C56H63N3O15S.C55H61N3O14S.C36H38O9.C33H32O10.C31H40O5.C23H26O6.8CH4/c1-3-52(61)71-37-69-44-17-21-46(22-18-44)73-54(63)41-13-9-39(10-14-41)35-67-48-25-26-50(43(33-48)34-57-59(27-29-65-31-32-66-30-28-60)56-58-49-7-5-6-8-51(49)75-56)68-36-40-11-15-42(16-12-40)55(64)74-47-23-19-45(20-24-47)70-38-72-53(62)4-2;1-4-51(59)69-36-67-43-18-22-45(23-19-43)71-53(61)40-14-10-38(11-15-40)34-65-47-26-27-49(42(32-47)33-56-58(28-29-64-31-30-63-3)55-57-48-8-6-7-9-50(48)73-55)66-35-39-12-16-41(17-13-39)54(62)72-46-24-20-44(21-25-46)68-37-70-52(60)5-2;1-5-27(4)40-21-7-8-22-41-30-15-11-28(12-16-30)35(38)44-32-19-20-33(26(3)25-32)45-36(39)29-13-17-31(18-14-29)42-23-9-10-24-43-34(37)6-2;1-4-30(34)40-20-6-18-38-26-12-8-24(9-13-26)32(36)42-28-16-17-29(23(3)22-28)43-33(37)25-10-14-27(15-11-25)39-19-7-21-41-31(35)5-2;1-3-9-24-10-12-25(13-11-24)26-14-20-29(21-15-26)36-31(33)27-16-18-28(19-17-27)34-22-7-5-6-8-23-35-30(32)4-2;1-3-22(24)28-17-7-5-4-6-16-27-20-10-8-18(9-11-20)23(25)29-21-14-12-19(26-2)13-15-21;;;;;;;;/h3-8,17-26,33-34,39-42,60H,1-2,9-16,27-32,35-38H2;4-9,18-27,32-33,38-41H,1-2,10-17,28-31,34-37H2,3H3;5-6,11-20,25H,1-2,4,7-10,21-24H2,3H3;4-5,8-17,22H,1-2,6-7,18-21H2,3H3;4,14-21,24-25H,2-3,5-13,22-23H2,1H3;3,8-15H,1,4-7,16-17H2,2H3;8*1H4/b57-34+;56-33+;;;;;;;;;;;;.
What are the key properties of methane;(4-methoxyphenyl) 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate?
methane;(4-methoxyphenyl) 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate has a molecular weight of 4293.11 g/mol, XLogP of 48.33, 117 rotatable bonds, 1 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(4-methoxyphenyl) 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexyl]methoxy]phenoxy]methyl]cyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate is sourced from PubChem (CID 172971485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).