sodium;1-O-(cyclohexylmethyl) 4-O-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl) butanedioate;1-O-(cyclohexylmethyl) 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[2-hydroxy-2-(3-hydroxy-4-methyl-5-oxo-2H-furan-2-yl)ethyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;2-[1-hydroxy-2-[4-oxo-4-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl)oxybutanoyl]oxyethyl]-3-methyl-5-oxo-2H-furan-4-olate;[4-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[4-[methoxy(methyl)phosphoryl]oxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl] dimethyl phosphate;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,4,6,6-tetramethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;(3,4,5,5-tetramethylcyclohex-3-en-1-yl) 4-oxopentanoate

C268H369NaO48P2 — CID 158517871

About sodium;1-O-(cyclohexylmethyl) 4-O-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl) butanedioate;1-O-(cyclohexylmethyl) 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[2-hydroxy-2-(3-hydroxy-4-methyl-5-oxo-2H-furan-2-yl)ethyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;2-[1-hydroxy-2-[4-oxo-4-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl)oxybutanoyl]oxyethyl]-3-methyl-5-oxo-2H-furan-4-olate;[4-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[4-[methoxy(methyl)phosphoryl]oxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl] dimethyl phosphate;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,4,6,6-tetramethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;(3,4,5,5-tetramethylcyclohex-3-en-1-yl) 4-oxopentanoate

sodium;1-O-(cyclohexylmethyl) 4-O-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl) butanedioate;1-O-(cyclohexylmethyl) 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[2-hydroxy-2-(3-hydroxy-4-methyl-5-oxo-2H-furan-2-yl)ethyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;2-[1-hydroxy-2-[4-oxo-4-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl)oxybutanoyl]oxyethyl]-3-methyl-5-oxo-2H-furan-4-olate;[4-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[4-[methoxy(methyl)phosphoryl]oxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl] dimethyl phosphate;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,4,6,6-tetramethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;(3,4,5,5-tetramethylcyclohex-3-en-1-yl) 4-oxopentanoate (PubChem CID 158517871) has the molecular formula C268H369NaO48P2 and a molecular weight of 4443.79 g/mol. Its IUPAC name is sodium;1-O-(cyclohexylmethyl) 4-O-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl) butanedioate;1-O-(cyclohexylmethyl) 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[2-hydroxy-2-(3-hydroxy-4-methyl-5-oxo-2H-furan-2-yl)ethyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;2-[1-hydroxy-2-[4-oxo-4-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl)oxybutanoyl]oxyethyl]-3-methyl-5-oxo-2H-furan-4-olate;[4-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[4-[methoxy(methyl)phosphoryl]oxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl] dimethyl phosphate;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,4,6,6-tetramethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;(3,4,5,5-tetramethylcyclohex-3-en-1-yl) 4-oxopentanoate.

Molecular Properties

• Compound Name: sodium;1-O-(cyclohexylmethyl) 4-O-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl) butanedioate;1-O-(cyclohexylmethyl) 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[2-hydroxy-2-(3-hydroxy-4-methyl-5-oxo-2H-furan-2-yl)ethyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;2-[1-hydroxy-2-[4-oxo-4-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl)oxybutanoyl]oxyethyl]-3-methyl-5-oxo-2H-furan-4-olate;[4-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[4-[methoxy(methyl)phosphoryl]oxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl] dimethyl phosphate;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,4,6,6-tetramethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;(3,4,5,5-tetramethylcyclohex-3-en-1-yl) 4-oxopentanoate
• PubChem CID: 158517871
• Molecular Formula: C268H369NaO48P2
• Molecular Weight: 4443.79 g/mol
• Exact Mass: 4440.58
• IUPAC Name: sodium;1-O-(cyclohexylmethyl) 4-O-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl) butanedioate;1-O-(cyclohexylmethyl) 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[2-hydroxy-2-(3-hydroxy-4-methyl-5-oxo-2H-furan-2-yl)ethyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;2-[1-hydroxy-2-[4-oxo-4-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl)oxybutanoyl]oxyethyl]-3-methyl-5-oxo-2H-furan-4-olate;[4-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[4-[methoxy(methyl)phosphoryl]oxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl] dimethyl phosphate;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,4,6,6-tetramethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;(3,4,5,5-tetramethylcyclohex-3-en-1-yl) 4-oxopentanoate
• SMILES: C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)C(OC(=O)CCC(=O)OCC(O)C2OC(=O)C(C)=C2O)CC1(C)C.C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)C(OC(=O)CCC(=O)OCC2CCCCC2)CC1(C)C.C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CC(OC(=O)CCC(=O)O)CC1(C)C.CC(=O)CCC(=O)OC1CC(C)=C(C)C(C)(C)C1.CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CC(OC(=O)CCC(=O)O)CC2(C)C)C(C)(C)CC(C)C1.CC1=C(C)C(C)(C)CC(OC(=O)CCC(=O)OCC(O)C2OC(=O)C([O-])=C2C)C1=O.CC1=C(C)C(C)(C)CC(OC(=O)CCC(=O)OCC2CCCCC2)C1=O.COP(C)(=O)OC1CC(C)(C)C(CC/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)C(OP(=O)(OC)OC)CC2(C)C)=C(C)C1=O.[Na+]
• InChI: InChI=1S/C45H62O4.C44H64O9P2.C43H54O9.C43H58O5.C36H48O4.C21H28O9.C21H32O5.C15H24O3.Na/c1-32(18-14-20-34(3)22-24-40-37(6)28-36(5)30-44(40,8)9)16-12-13-17-33(2)19-15-21-35(4)23-25-41-38(7)29-39(31-45(41,10)11)49-43(48)27-26-42(46)47;1-31(21-17-23-33(3)25-27-37-35(5)41(45)39(29-43(37,7)8)52-54(14,47)49-11)19-15-16-20-32(2)22-18-24-34(4)26-28-38-36(6)42(46)40(30-44(38,9)10)53-55(48,50-12)51-13;1-10-15-28(2)18-13-19-29(3)16-11-12-17-30(4)20-14-21-31(5)22-23-34-32(6)39(47)36(26-43(34,8)9)51-38(46)25-24-37(45)50-27-35(44)41-40(48)33(7)42(49)52-41;1-9-17-32(2)20-15-21-33(3)18-13-14-19-34(4)22-16-23-35(5)26-27-38-36(6)42(46)39(30-43(38,7)8)48-41(45)29-28-40(44)47-31-37-24-11-10-12-25-37;1-9-14-27(2)17-12-18-28(3)15-10-11-16-29(4)19-13-20-30(5)21-22-33-31(6)25-32(26-36(33,7)8)40-35(39)24-23-34(37)38;1-10-12(3)21(4,5)8-14(17(10)25)29-16(24)7-6-15(23)28-9-13(22)19-11(2)18(26)20(27)30-19;1-14-15(2)21(3,4)12-17(20(14)24)26-19(23)11-10-18(22)25-13-16-8-6-5-7-9-16;1-10-8-13(9-15(4,5)12(10)3)18-14(17)7-6-11(2)16;/h12-25,36,39H,26-31H2,1-11H3,(H,46,47);15-24,26,28,39-40H,25,27,29-30H2,1-14H3;10-23,35-36,41,44,48H,24-27H2,1-9H3;9,13-23,26-27,37,39H,10-12,24-25,28-31H2,1-8H3;9-22,32H,23-26H2,1-8H3,(H,37,38);13-14,19,22,26H,6-9H2,1-5H3;16-17H,5-13H2,1-4H3;13H,6-9H2,1-5H3;/q;;;;;;;;+1/p-1/b13-12+,18-14+,19-15+,24-22+,25-23+,32-16+,33-17+,34-20+,35-21+;16-15+,21-17+,22-18+,28-26+,31-19+,32-20+,33-23+,34-24+;12-11+,15-10+,19-13+,20-14+,23-22+,28-18+,29-16+,30-17+,31-21+;14-13+,17-9+,21-15+,22-16+,27-26+,32-20+,33-18+,34-19+,35-23+;11-10+,14-9+,18-12+,19-13+,22-21+,27-17+,28-15+,29-16+,30-20+
• InChIKey: NATJBFQSMFWTOC-XOHGCZERSA-M
• XLogP: 57.76
• TPSA: 700.03 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 46
• Rotatable Bonds: 93
• Heavy Atoms: 319
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4443.79
LogP ≤ 5	57.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of sodium;1-O-(cyclohexylmethyl) 4-O-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl) butanedioate;1-O-(cyclohexylmethyl) 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[2-hydroxy-2-(3-hydroxy-4-methyl-5-oxo-2H-furan-2-yl)ethyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;2-[1-hydroxy-2-[4-oxo-4-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl)oxybutanoyl]oxyethyl]-3-methyl-5-oxo-2H-furan-4-olate;[4-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[4-[methoxy(methyl)phosphoryl]oxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl] dimethyl phosphate;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,4,6,6-tetramethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;(3,4,5,5-tetramethylcyclohex-3-en-1-yl) 4-oxopentanoate?

The IUPAC name of sodium;1-O-(cyclohexylmethyl) 4-O-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl) butanedioate;1-O-(cyclohexylmethyl) 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[2-hydroxy-2-(3-hydroxy-4-methyl-5-oxo-2H-furan-2-yl)ethyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;2-[1-hydroxy-2-[4-oxo-4-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl)oxybutanoyl]oxyethyl]-3-methyl-5-oxo-2H-furan-4-olate;[4-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[4-[methoxy(methyl)phosphoryl]oxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl] dimethyl phosphate;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,4,6,6-tetramethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;(3,4,5,5-tetramethylcyclohex-3-en-1-yl) 4-oxopentanoate (CID 158517871) is sodium;1-O-(cyclohexylmethyl) 4-O-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl) butanedioate;1-O-(cyclohexylmethyl) 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[2-hydroxy-2-(3-hydroxy-4-methyl-5-oxo-2H-furan-2-yl)ethyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;2-[1-hydroxy-2-[4-oxo-4-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl)oxybutanoyl]oxyethyl]-3-methyl-5-oxo-2H-furan-4-olate;[4-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[4-[methoxy(methyl)phosphoryl]oxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl] dimethyl phosphate;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,4,6,6-tetramethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;(3,4,5,5-tetramethylcyclohex-3-en-1-yl) 4-oxopentanoate.

What is the SMILES notation for sodium;1-O-(cyclohexylmethyl) 4-O-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl) butanedioate;1-O-(cyclohexylmethyl) 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[2-hydroxy-2-(3-hydroxy-4-methyl-5-oxo-2H-furan-2-yl)ethyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;2-[1-hydroxy-2-[4-oxo-4-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl)oxybutanoyl]oxyethyl]-3-methyl-5-oxo-2H-furan-4-olate;[4-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[4-[methoxy(methyl)phosphoryl]oxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl] dimethyl phosphate;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,4,6,6-tetramethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;(3,4,5,5-tetramethylcyclohex-3-en-1-yl) 4-oxopentanoate?

The canonical SMILES for sodium;1-O-(cyclohexylmethyl) 4-O-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl) butanedioate;1-O-(cyclohexylmethyl) 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[2-hydroxy-2-(3-hydroxy-4-methyl-5-oxo-2H-furan-2-yl)ethyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;2-[1-hydroxy-2-[4-oxo-4-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl)oxybutanoyl]oxyethyl]-3-methyl-5-oxo-2H-furan-4-olate;[4-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[4-[methoxy(methyl)phosphoryl]oxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl] dimethyl phosphate;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,4,6,6-tetramethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;(3,4,5,5-tetramethylcyclohex-3-en-1-yl) 4-oxopentanoate is C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)C(OC(=O)CCC(=O)OCC(O)C2OC(=O)C(C)=C2O)CC1(C)C.C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)C(OC(=O)CCC(=O)OCC2CCCCC2)CC1(C)C.C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CC(OC(=O)CCC(=O)O)CC1(C)C.CC(=O)CCC(=O)OC1CC(C)=C(C)C(C)(C)C1.CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CC(OC(=O)CCC(=O)O)CC2(C)C)C(C)(C)CC(C)C1.CC1=C(C)C(C)(C)CC(OC(=O)CCC(=O)OCC(O)C2OC(=O)C([O-])=C2C)C1=O.CC1=C(C)C(C)(C)CC(OC(=O)CCC(=O)OCC2CCCCC2)C1=O.COP(C)(=O)OC1CC(C)(C)C(CC/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)C(OP(=O)(OC)OC)CC2(C)C)=C(C)C1=O.[Na+].

What is the InChIKey of sodium;1-O-(cyclohexylmethyl) 4-O-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl) butanedioate;1-O-(cyclohexylmethyl) 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[2-hydroxy-2-(3-hydroxy-4-methyl-5-oxo-2H-furan-2-yl)ethyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;2-[1-hydroxy-2-[4-oxo-4-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl)oxybutanoyl]oxyethyl]-3-methyl-5-oxo-2H-furan-4-olate;[4-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[4-[methoxy(methyl)phosphoryl]oxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl] dimethyl phosphate;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,4,6,6-tetramethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;(3,4,5,5-tetramethylcyclohex-3-en-1-yl) 4-oxopentanoate?

The InChIKey is NATJBFQSMFWTOC-XOHGCZERSA-M. The full InChI is InChI=1S/C45H62O4.C44H64O9P2.C43H54O9.C43H58O5.C36H48O4.C21H28O9.C21H32O5.C15H24O3.Na/c1-32(18-14-20-34(3)22-24-40-37(6)28-36(5)30-44(40,8)9)16-12-13-17-33(2)19-15-21-35(4)23-25-41-38(7)29-39(31-45(41,10)11)49-43(48)27-26-42(46)47;1-31(21-17-23-33(3)25-27-37-35(5)41(45)39(29-43(37,7)8)52-54(14,47)49-11)19-15-16-20-32(2)22-18-24-34(4)26-28-38-36(6)42(46)40(30-44(38,9)10)53-55(48,50-12)51-13;1-10-15-28(2)18-13-19-29(3)16-11-12-17-30(4)20-14-21-31(5)22-23-34-32(6)39(47)36(26-43(34,8)9)51-38(46)25-24-37(45)50-27-35(44)41-40(48)33(7)42(49)52-41;1-9-17-32(2)20-15-21-33(3)18-13-14-19-34(4)22-16-23-35(5)26-27-38-36(6)42(46)39(30-43(38,7)8)48-41(45)29-28-40(44)47-31-37-24-11-10-12-25-37;1-9-14-27(2)17-12-18-28(3)15-10-11-16-29(4)19-13-20-30(5)21-22-33-31(6)25-32(26-36(33,7)8)40-35(39)24-23-34(37)38;1-10-12(3)21(4,5)8-14(17(10)25)29-16(24)7-6-15(23)28-9-13(22)19-11(2)18(26)20(27)30-19;1-14-15(2)21(3,4)12-17(20(14)24)26-19(23)11-10-18(22)25-13-16-8-6-5-7-9-16;1-10-8-13(9-15(4,5)12(10)3)18-14(17)7-6-11(2)16;/h12-25,36,39H,26-31H2,1-11H3,(H,46,47);15-24,26,28,39-40H,25,27,29-30H2,1-14H3;10-23,35-36,41,44,48H,24-27H2,1-9H3;9,13-23,26-27,37,39H,10-12,24-25,28-31H2,1-8H3;9-22,32H,23-26H2,1-8H3,(H,37,38);13-14,19,22,26H,6-9H2,1-5H3;16-17H,5-13H2,1-4H3;13H,6-9H2,1-5H3;/q;;;;;;;;+1/p-1/b13-12+,18-14+,19-15+,24-22+,25-23+,32-16+,33-17+,34-20+,35-21+;16-15+,21-17+,22-18+,28-26+,31-19+,32-20+,33-23+,34-24+;12-11+,15-10+,19-13+,20-14+,23-22+,28-18+,29-16+,30-17+,31-21+;14-13+,17-9+,21-15+,22-16+,27-26+,32-20+,33-18+,34-19+,35-23+;11-10+,14-9+,18-12+,19-13+,22-21+,27-17+,28-15+,29-16+,30-20+;;;;.

What are the key properties of sodium;1-O-(cyclohexylmethyl) 4-O-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl) butanedioate;1-O-(cyclohexylmethyl) 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[2-hydroxy-2-(3-hydroxy-4-methyl-5-oxo-2H-furan-2-yl)ethyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;2-[1-hydroxy-2-[4-oxo-4-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl)oxybutanoyl]oxyethyl]-3-methyl-5-oxo-2H-furan-4-olate;[4-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[4-[methoxy(methyl)phosphoryl]oxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl] dimethyl phosphate;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,4,6,6-tetramethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;(3,4,5,5-tetramethylcyclohex-3-en-1-yl) 4-oxopentanoate?

sodium;1-O-(cyclohexylmethyl) 4-O-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl) butanedioate;1-O-(cyclohexylmethyl) 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[2-hydroxy-2-(3-hydroxy-4-methyl-5-oxo-2H-furan-2-yl)ethyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;2-[1-hydroxy-2-[4-oxo-4-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl)oxybutanoyl]oxyethyl]-3-methyl-5-oxo-2H-furan-4-olate;[4-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[4-[methoxy(methyl)phosphoryl]oxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl] dimethyl phosphate;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,4,6,6-tetramethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;(3,4,5,5-tetramethylcyclohex-3-en-1-yl) 4-oxopentanoate has a molecular weight of 4443.79 g/mol, XLogP of 57.76, 93 rotatable bonds, 5 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;1-O-(cyclohexylmethyl) 4-O-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl) butanedioate;1-O-(cyclohexylmethyl) 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[2-hydroxy-2-(3-hydroxy-4-methyl-5-oxo-2H-furan-2-yl)ethyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;2-[1-hydroxy-2-[4-oxo-4-(3,4,5,5-tetramethyl-2-oxocyclohex-3-en-1-yl)oxybutanoyl]oxyethyl]-3-methyl-5-oxo-2H-furan-4-olate;[4-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[4-[methoxy(methyl)phosphoryl]oxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl] dimethyl phosphate;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;4-oxo-4-[3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,4,6,6-tetramethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid;(3,4,5,5-tetramethylcyclohex-3-en-1-yl) 4-oxopentanoate is sourced from PubChem (CID 158517871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).