4-O-[2-methoxycarbonyl-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[(2Z,4E)-4-(4-prop-2-enoyloxybutoxycarbonyl)hexa-2,4-dienyl] cyclohexane-1,4-dicarboxylate;4-O-[3-methoxycarbonyl-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(piperidine-1-carbonyl)-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(7-prop-2-enoyloxyheptyl)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(4-prop-2-enoyloxybutoxycarbonyl)-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl] cyclohexane-1,4-dicarboxylate

C223H261NO71 — CID 160597769

IUPAC4-O-[2-methoxycarbonyl-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[(2Z,4E)-4-(4-prop-2-enoyloxybutoxycarbonyl)hexa-2,4-dienyl] cyclohexane-1,4-dicarboxylate;4-O-[3-methoxycarbonyl-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(piperidine-1-carbonyl)-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(7-prop-2-enoyloxyheptyl)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(4-prop-2-enoyloxybutoxycarbonyl)-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl] cyclohexane-1,4-dicarboxylate
SMILESC=CC(=O)OCCCCCCCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)Oc5ccc(OCCCCCCOC(=O)C=C)cc5)CC4)c(C(=O)N4CCCCC4)c3)CC2)cc1.C=CC(=O)OCCCCCCOc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)Oc5ccc(CCOC(=O)CCC(=O)OCCOC(=O)C=C)cc5)CC4)cc3C(=O)OC)CC2)cc1.C=CC(=O)OCCCCOC(=O)C(/C=C\COC(=O)C1CCC(C(=O)Oc2ccc(OC(=O)C3CCC(C(=O)Oc4ccc(C(=O)OCCCCOC(=O)C=C)cc4)CC3)cc2C(=O)OC)CC1)=C/C.C=CC(=O)OCCCCOC(=O)c1cc(OC(=O)C2CCC(C(=O)Oc3ccc(OCCOCCOC(=O)C=C)cc3)CC2)ccc1OC(=O)C1CCC(C(=O)Oc2ccc(OCCOCCOC(=O)C=C)cc2)CC1
InChIInChI=1S/C59H73NO14.C56H64O20.C56H64O19.C52H60O18/c1-3-53(61)69-39-15-7-5-6-11-17-42-18-28-48(29-19-42)71-56(64)43-20-22-45(23-21-43)58(66)73-50-34-35-52(51(41-50)55(63)60-36-12-10-13-37-60)74-59(67)46-26-24-44(25-27-46)57(65)72-49-32-30-47(31-33-49)68-38-14-8-9-16-40-70-54(62)4-2;1-4-49(57)69-27-7-8-28-72-56(64)47-37-46(75-54(62)40-11-9-38(10-12-40)52(60)73-44-21-17-42(18-22-44)67-33-29-65-31-35-70-50(58)5-2)25-26-48(47)76-55(63)41-15-13-39(14-16-41)53(61)74-45-23-19-43(20-24-45)68-34-30-66-32-36-71-51(59)6-3;1-4-48(57)68-32-9-7-6-8-31-67-42-22-24-44(25-23-42)73-53(62)39-16-18-41(19-17-39)55(64)75-47-27-26-45(36-46(47)56(65)66-3)74-54(63)40-14-12-38(13-15-40)52(61)72-43-20-10-37(11-21-43)30-33-69-50(59)28-29-51(60)71-35-34-70-49(58)5-2;1-5-34(46(55)65-30-10-8-28-63-44(53)6-2)13-12-32-67-47(56)35-14-16-39(17-15-35)51(60)70-43-27-26-41(33-42(43)52(61)62-4)69-50(59)38-20-18-37(19-21-38)49(58)68-40-24-22-36(23-25-40)48(57)66-31-11-9-29-64-45(54)7-3/h3-4,18-19,28-35,41,43-46H,1-2,5-17,20-27,36-40H2;4-6,17-26,37-41H,1-3,7-16,27-36H2;4-5,10-11,20-27,36,38-41H,1-2,6-9,12-19,28-35H2,3H3;5-7,12-13,22-27,33,35,37-39H,2-3,8-11,14-21,28-32H2,1,4H3/b;;;13-12-,34-5+
InChIKeyRDWCVHPPLKFWHU-JMZFXTJGSA-N
MW4091.48 g/mol
LogP33.26
Rot. Bonds111

About 4-O-[2-methoxycarbonyl-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[(2Z,4E)-4-(4-prop-2-enoyloxybutoxycarbonyl)hexa-2,4-dienyl] cyclohexane-1,4-dicarboxylate;4-O-[3-methoxycarbonyl-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(piperidine-1-carbonyl)-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(7-prop-2-enoyloxyheptyl)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(4-prop-2-enoyloxybutoxycarbonyl)-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl] cyclohexane-1,4-dicarboxylate

4-O-[2-methoxycarbonyl-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[(2Z,4E)-4-(4-prop-2-enoyloxybutoxycarbonyl)hexa-2,4-dienyl] cyclohexane-1,4-dicarboxylate;4-O-[3-methoxycarbonyl-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(piperidine-1-carbonyl)-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(7-prop-2-enoyloxyheptyl)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(4-prop-2-enoyloxybutoxycarbonyl)-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl] cyclohexane-1,4-dicarboxylate (PubChem CID 160597769) has the molecular formula C223H261NO71 and a molecular weight of 4091.48 g/mol. Its IUPAC name is 4-O-[2-methoxycarbonyl-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[(2Z,4E)-4-(4-prop-2-enoyloxybutoxycarbonyl)hexa-2,4-dienyl] cyclohexane-1,4-dicarboxylate;4-O-[3-methoxycarbonyl-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(piperidine-1-carbonyl)-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(7-prop-2-enoyloxyheptyl)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(4-prop-2-enoyloxybutoxycarbonyl)-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl] cyclohexane-1,4-dicarboxylate.

Molecular Properties

Compound Name4-O-[2-methoxycarbonyl-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[(2Z,4E)-4-(4-prop-2-enoyloxybutoxycarbonyl)hexa-2,4-dienyl] cyclohexane-1,4-dicarboxylate;4-O-[3-methoxycarbonyl-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(piperidine-1-carbonyl)-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(7-prop-2-enoyloxyheptyl)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(4-prop-2-enoyloxybutoxycarbonyl)-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl] cyclohexane-1,4-dicarboxylate
PubChem CID160597769
Molecular FormulaC223H261NO71
Molecular Weight4091.48 g/mol
Exact Mass4088.68
IUPAC Name4-O-[2-methoxycarbonyl-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[(2Z,4E)-4-(4-prop-2-enoyloxybutoxycarbonyl)hexa-2,4-dienyl] cyclohexane-1,4-dicarboxylate;4-O-[3-methoxycarbonyl-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(piperidine-1-carbonyl)-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(7-prop-2-enoyloxyheptyl)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(4-prop-2-enoyloxybutoxycarbonyl)-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl] cyclohexane-1,4-dicarboxylate
SMILESC=CC(=O)OCCCCCCCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)Oc5ccc(OCCCCCCOC(=O)C=C)cc5)CC4)c(C(=O)N4CCCCC4)c3)CC2)cc1.C=CC(=O)OCCCCCCOc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)Oc5ccc(CCOC(=O)CCC(=O)OCCOC(=O)C=C)cc5)CC4)cc3C(=O)OC)CC2)cc1.C=CC(=O)OCCCCOC(=O)C(/C=C\COC(=O)C1CCC(C(=O)Oc2ccc(OC(=O)C3CCC(C(=O)Oc4ccc(C(=O)OCCCCOC(=O)C=C)cc4)CC3)cc2C(=O)OC)CC1)=C/C.C=CC(=O)OCCCCOC(=O)c1cc(OC(=O)C2CCC(C(=O)Oc3ccc(OCCOCCOC(=O)C=C)cc3)CC2)ccc1OC(=O)C1CCC(C(=O)Oc2ccc(OCCOCCOC(=O)C=C)cc2)CC1
InChIInChI=1S/C59H73NO14.C56H64O20.C56H64O19.C52H60O18/c1-3-53(61)69-39-15-7-5-6-11-17-42-18-28-48(29-19-42)71-56(64)43-20-22-45(23-21-43)58(66)73-50-34-35-52(51(41-50)55(63)60-36-12-10-13-37-60)74-59(67)46-26-24-44(25-27-46)57(65)72-49-32-30-47(31-33-49)68-38-14-8-9-16-40-70-54(62)4-2;1-4-49(57)69-27-7-8-28-72-56(64)47-37-46(75-54(62)40-11-9-38(10-12-40)52(60)73-44-21-17-42(18-22-44)67-33-29-65-31-35-70-50(58)5-2)25-26-48(47)76-55(63)41-15-13-39(14-16-41)53(61)74-45-23-19-43(20-24-45)68-34-30-66-32-36-71-51(59)6-3;1-4-48(57)68-32-9-7-6-8-31-67-42-22-24-44(25-23-42)73-53(62)39-16-18-41(19-17-39)55(64)75-47-27-26-45(36-46(47)56(65)66-3)74-54(63)40-14-12-38(13-15-40)52(61)72-43-20-10-37(11-21-43)30-33-69-50(59)28-29-51(60)71-35-34-70-49(58)5-2;1-5-34(46(55)65-30-10-8-28-63-44(53)6-2)13-12-32-67-47(56)35-14-16-39(17-15-35)51(60)70-43-27-26-41(33-42(43)52(61)62-4)69-50(59)38-20-18-37(19-21-38)49(58)68-40-24-22-36(23-25-40)48(57)66-31-11-9-29-64-45(54)7-3/h3-4,18-19,28-35,41,43-46H,1-2,5-17,20-27,36-40H2;4-6,17-26,37-41H,1-3,7-16,27-36H2;4-5,10-11,20-27,36,38-41H,1-2,6-9,12-19,28-35H2,3H3;5-7,12-13,22-27,33,35,37-39H,2-3,8-11,14-21,28-32H2,1,4H3/b;;;13-12-,34-5+
InChIKeyRDWCVHPPLKFWHU-JMZFXTJGSA-N
XLogP33.26
TPSA917.29 Ų
H-Bond Donors
H-Bond Acceptors71
Rotatable Bonds111
Heavy Atoms295
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004091.48
LogP ≤ 533.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1071

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': 'polyene', 'substructure': 'N/A'}

Analyze 4-O-[2-methoxycarbonyl-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[(2Z,4E)-4-(4-prop-2-enoyloxybutoxycarbonyl)hexa-2,4-dienyl] cyclohexane-1,4-dicarboxylate;4-O-[3-methoxycarbonyl-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(piperidine-1-carbonyl)-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(7-prop-2-enoyloxyheptyl)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(4-prop-2-enoyloxybutoxycarbonyl)-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl] cyclohexane-1,4-dicarboxylate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-O-[2-methoxycarbonyl-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[(2Z,4E)-4-(4-prop-2-enoyloxybutoxycarbonyl)hexa-2,4-dienyl] cyclohexane-1,4-dicarboxylate;4-O-[3-methoxycarbonyl-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(piperidine-1-carbonyl)-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(7-prop-2-enoyloxyheptyl)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(4-prop-2-enoyloxybutoxycarbonyl)-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl] cyclohexane-1,4-dicarboxylate?
The IUPAC name of 4-O-[2-methoxycarbonyl-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[(2Z,4E)-4-(4-prop-2-enoyloxybutoxycarbonyl)hexa-2,4-dienyl] cyclohexane-1,4-dicarboxylate;4-O-[3-methoxycarbonyl-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(piperidine-1-carbonyl)-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(7-prop-2-enoyloxyheptyl)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(4-prop-2-enoyloxybutoxycarbonyl)-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl] cyclohexane-1,4-dicarboxylate (CID 160597769) is 4-O-[2-methoxycarbonyl-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[(2Z,4E)-4-(4-prop-2-enoyloxybutoxycarbonyl)hexa-2,4-dienyl] cyclohexane-1,4-dicarboxylate;4-O-[3-methoxycarbonyl-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(piperidine-1-carbonyl)-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(7-prop-2-enoyloxyheptyl)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(4-prop-2-enoyloxybutoxycarbonyl)-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl] cyclohexane-1,4-dicarboxylate.
What is the SMILES notation for 4-O-[2-methoxycarbonyl-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[(2Z,4E)-4-(4-prop-2-enoyloxybutoxycarbonyl)hexa-2,4-dienyl] cyclohexane-1,4-dicarboxylate;4-O-[3-methoxycarbonyl-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(piperidine-1-carbonyl)-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(7-prop-2-enoyloxyheptyl)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(4-prop-2-enoyloxybutoxycarbonyl)-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl] cyclohexane-1,4-dicarboxylate?
The canonical SMILES for 4-O-[2-methoxycarbonyl-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[(2Z,4E)-4-(4-prop-2-enoyloxybutoxycarbonyl)hexa-2,4-dienyl] cyclohexane-1,4-dicarboxylate;4-O-[3-methoxycarbonyl-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(piperidine-1-carbonyl)-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(7-prop-2-enoyloxyheptyl)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(4-prop-2-enoyloxybutoxycarbonyl)-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl] cyclohexane-1,4-dicarboxylate is C=CC(=O)OCCCCCCCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)Oc5ccc(OCCCCCCOC(=O)C=C)cc5)CC4)c(C(=O)N4CCCCC4)c3)CC2)cc1.C=CC(=O)OCCCCCCOc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)Oc5ccc(CCOC(=O)CCC(=O)OCCOC(=O)C=C)cc5)CC4)cc3C(=O)OC)CC2)cc1.C=CC(=O)OCCCCOC(=O)C(/C=C\COC(=O)C1CCC(C(=O)Oc2ccc(OC(=O)C3CCC(C(=O)Oc4ccc(C(=O)OCCCCOC(=O)C=C)cc4)CC3)cc2C(=O)OC)CC1)=C/C.C=CC(=O)OCCCCOC(=O)c1cc(OC(=O)C2CCC(C(=O)Oc3ccc(OCCOCCOC(=O)C=C)cc3)CC2)ccc1OC(=O)C1CCC(C(=O)Oc2ccc(OCCOCCOC(=O)C=C)cc2)CC1.
What is the InChIKey of 4-O-[2-methoxycarbonyl-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[(2Z,4E)-4-(4-prop-2-enoyloxybutoxycarbonyl)hexa-2,4-dienyl] cyclohexane-1,4-dicarboxylate;4-O-[3-methoxycarbonyl-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(piperidine-1-carbonyl)-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(7-prop-2-enoyloxyheptyl)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(4-prop-2-enoyloxybutoxycarbonyl)-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl] cyclohexane-1,4-dicarboxylate?
The InChIKey is RDWCVHPPLKFWHU-JMZFXTJGSA-N. The full InChI is InChI=1S/C59H73NO14.C56H64O20.C56H64O19.C52H60O18/c1-3-53(61)69-39-15-7-5-6-11-17-42-18-28-48(29-19-42)71-56(64)43-20-22-45(23-21-43)58(66)73-50-34-35-52(51(41-50)55(63)60-36-12-10-13-37-60)74-59(67)46-26-24-44(25-27-46)57(65)72-49-32-30-47(31-33-49)68-38-14-8-9-16-40-70-54(62)4-2;1-4-49(57)69-27-7-8-28-72-56(64)47-37-46(75-54(62)40-11-9-38(10-12-40)52(60)73-44-21-17-42(18-22-44)67-33-29-65-31-35-70-50(58)5-2)25-26-48(47)76-55(63)41-15-13-39(14-16-41)53(61)74-45-23-19-43(20-24-45)68-34-30-66-32-36-71-51(59)6-3;1-4-48(57)68-32-9-7-6-8-31-67-42-22-24-44(25-23-42)73-53(62)39-16-18-41(19-17-39)55(64)75-47-27-26-45(36-46(47)56(65)66-3)74-54(63)40-14-12-38(13-15-40)52(61)72-43-20-10-37(11-21-43)30-33-69-50(59)28-29-51(60)71-35-34-70-49(58)5-2;1-5-34(46(55)65-30-10-8-28-63-44(53)6-2)13-12-32-67-47(56)35-14-16-39(17-15-35)51(60)70-43-27-26-41(33-42(43)52(61)62-4)69-50(59)38-20-18-37(19-21-38)49(58)68-40-24-22-36(23-25-40)48(57)66-31-11-9-29-64-45(54)7-3/h3-4,18-19,28-35,41,43-46H,1-2,5-17,20-27,36-40H2;4-6,17-26,37-41H,1-3,7-16,27-36H2;4-5,10-11,20-27,36,38-41H,1-2,6-9,12-19,28-35H2,3H3;5-7,12-13,22-27,33,35,37-39H,2-3,8-11,14-21,28-32H2,1,4H3/b;;;13-12-,34-5+.
What are the key properties of 4-O-[2-methoxycarbonyl-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[(2Z,4E)-4-(4-prop-2-enoyloxybutoxycarbonyl)hexa-2,4-dienyl] cyclohexane-1,4-dicarboxylate;4-O-[3-methoxycarbonyl-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(piperidine-1-carbonyl)-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(7-prop-2-enoyloxyheptyl)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(4-prop-2-enoyloxybutoxycarbonyl)-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl] cyclohexane-1,4-dicarboxylate?
4-O-[2-methoxycarbonyl-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[(2Z,4E)-4-(4-prop-2-enoyloxybutoxycarbonyl)hexa-2,4-dienyl] cyclohexane-1,4-dicarboxylate;4-O-[3-methoxycarbonyl-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(piperidine-1-carbonyl)-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(7-prop-2-enoyloxyheptyl)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(4-prop-2-enoyloxybutoxycarbonyl)-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl] cyclohexane-1,4-dicarboxylate has a molecular weight of 4091.48 g/mol, XLogP of 33.26, 111 rotatable bonds, 0 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[2-methoxycarbonyl-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[(2Z,4E)-4-(4-prop-2-enoyloxybutoxycarbonyl)hexa-2,4-dienyl] cyclohexane-1,4-dicarboxylate;4-O-[3-methoxycarbonyl-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(piperidine-1-carbonyl)-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(7-prop-2-enoyloxyheptyl)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-(4-prop-2-enoyloxybutoxycarbonyl)-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl] cyclohexane-1,4-dicarboxylate is sourced from PubChem (CID 160597769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).