tert-butyl 4-[1-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propan-2-yl]benzoate;1-O-(1-ethenylcyclopentyl) 5-O-(1-ethylcyclopentyl) 4-[2-(3,4-dihydroxyphenyl)butyl]-2,2,4-trimethylpentanedioate;3-O-(1-ethoxyethyl) 1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 3-O-(2-phenylpropan-2-yl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(2-phenylbutan-2-yl) 4-[2-(6-hydroxynaphthalen-2-yl)butyl]-2,2,4-trimethylpentanedioate;methane

C187H323NO31 — CID 164987853

IUPACtert-butyl 4-[1-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propan-2-yl]benzoate;1-O-(1-ethenylcyclopentyl) 5-O-(1-ethylcyclopentyl) 4-[2-(3,4-dihydroxyphenyl)butyl]-2,2,4-trimethylpentanedioate;3-O-(1-ethoxyethyl) 1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 3-O-(2-phenylpropan-2-yl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(2-phenylbutan-2-yl) 4-[2-(6-hydroxynaphthalen-2-yl)butyl]-2,2,4-trimethylpentanedioate;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=CC1(OC(=O)C(C)(C)CC(C)(CC(CC)c2ccc(O)c(O)c2)C(=O)OC2(CC)CCCC2)CCCC1.CC(CC1C(=O)N(c2ccc(O)cc2)C(=O)C1C)c1ccc(C(=O)OC(C)(C)C)cc1.CCC(CC(C)(CC(C)(C)C(=O)OC1(CC)CCCC1)C(=O)OC(C)(CC)c1ccccc1)c1ccc2cc(O)ccc2c1.CCC1(OC(=O)C(C)(C)CC(C)(CC(C)(CC)C(=O)Oc2ccc(O)cc2)C(=O)OC(C)(C)c2ccccc2)CCCC1.CCOC(C)OC(=O)C(C)(CC(C)(C)C(=O)OC1(CC)CCCC1)CC(C)(CC)C(=O)Oc1ccc(O)cc1
InChIInChI=1S/C39H52O5.C36H50O7.C32H48O6.C31H48O8.C25H29NO5.24CH4/c1-8-28(29-18-19-31-25-33(40)21-20-30(31)24-29)26-37(6,35(42)43-38(7,9-2)32-16-12-11-13-17-32)27-36(4,5)34(41)44-39(10-3)22-14-15-23-39;1-9-34(7,30(39)41-28-20-18-27(37)19-21-28)25-35(8,31(40)42-33(5,6)26-16-12-11-13-17-26)24-32(3,4)29(38)43-36(10-2)22-14-15-23-36;1-7-23(24-14-15-25(33)26(34)20-24)21-30(6,28(36)38-32(9-3)18-12-13-19-32)22-29(4,5)27(35)37-31(8-2)16-10-11-17-31;1-9-29(7,26(34)38-24-16-14-23(32)15-17-24)21-30(8,27(35)37-22(4)36-11-3)20-28(5,6)25(33)39-31(10-2)18-12-13-19-31;1-15(17-6-8-18(9-7-17)24(30)31-25(3,4)5)14-21-16(2)22(28)26(23(21)29)19-10-12-20(27)13-11-19;;;;;;;;;;;;;;;;;;;;;;;;/h11-13,16-21,24-25,28,40H,8-10,14-15,22-23,26-27H2,1-7H3;11-13,16-21,37H,9-10,14-15,22-25H2,1-8H3;8,14-15,20,23,33-34H,2,7,9-13,16-19,21-22H2,1,3-6H3;14-17,22,32H,9-13,18-21H2,1-8H3;6-13,15-16,21,27H,14H2,1-5H3;24*1H4
InChIKeyGKMJXULVBDOKDH-UHFFFAOYSA-N
MW3081.62 g/mol
LogP52.62
Rot. Bonds57

About tert-butyl 4-[1-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propan-2-yl]benzoate;1-O-(1-ethenylcyclopentyl) 5-O-(1-ethylcyclopentyl) 4-[2-(3,4-dihydroxyphenyl)butyl]-2,2,4-trimethylpentanedioate;3-O-(1-ethoxyethyl) 1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 3-O-(2-phenylpropan-2-yl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(2-phenylbutan-2-yl) 4-[2-(6-hydroxynaphthalen-2-yl)butyl]-2,2,4-trimethylpentanedioate;methane

tert-butyl 4-[1-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propan-2-yl]benzoate;1-O-(1-ethenylcyclopentyl) 5-O-(1-ethylcyclopentyl) 4-[2-(3,4-dihydroxyphenyl)butyl]-2,2,4-trimethylpentanedioate;3-O-(1-ethoxyethyl) 1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 3-O-(2-phenylpropan-2-yl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(2-phenylbutan-2-yl) 4-[2-(6-hydroxynaphthalen-2-yl)butyl]-2,2,4-trimethylpentanedioate;methane (PubChem CID 164987853) has the molecular formula C187H323NO31 and a molecular weight of 3081.62 g/mol. Its IUPAC name is tert-butyl 4-[1-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propan-2-yl]benzoate;1-O-(1-ethenylcyclopentyl) 5-O-(1-ethylcyclopentyl) 4-[2-(3,4-dihydroxyphenyl)butyl]-2,2,4-trimethylpentanedioate;3-O-(1-ethoxyethyl) 1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 3-O-(2-phenylpropan-2-yl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(2-phenylbutan-2-yl) 4-[2-(6-hydroxynaphthalen-2-yl)butyl]-2,2,4-trimethylpentanedioate;methane.

Molecular Properties

Compound Nametert-butyl 4-[1-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propan-2-yl]benzoate;1-O-(1-ethenylcyclopentyl) 5-O-(1-ethylcyclopentyl) 4-[2-(3,4-dihydroxyphenyl)butyl]-2,2,4-trimethylpentanedioate;3-O-(1-ethoxyethyl) 1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 3-O-(2-phenylpropan-2-yl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(2-phenylbutan-2-yl) 4-[2-(6-hydroxynaphthalen-2-yl)butyl]-2,2,4-trimethylpentanedioate;methane
PubChem CID164987853
Molecular FormulaC187H323NO31
Molecular Weight3081.62 g/mol
Exact Mass3079.37
IUPAC Nametert-butyl 4-[1-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propan-2-yl]benzoate;1-O-(1-ethenylcyclopentyl) 5-O-(1-ethylcyclopentyl) 4-[2-(3,4-dihydroxyphenyl)butyl]-2,2,4-trimethylpentanedioate;3-O-(1-ethoxyethyl) 1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 3-O-(2-phenylpropan-2-yl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(2-phenylbutan-2-yl) 4-[2-(6-hydroxynaphthalen-2-yl)butyl]-2,2,4-trimethylpentanedioate;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=CC1(OC(=O)C(C)(C)CC(C)(CC(CC)c2ccc(O)c(O)c2)C(=O)OC2(CC)CCCC2)CCCC1.CC(CC1C(=O)N(c2ccc(O)cc2)C(=O)C1C)c1ccc(C(=O)OC(C)(C)C)cc1.CCC(CC(C)(CC(C)(C)C(=O)OC1(CC)CCCC1)C(=O)OC(C)(CC)c1ccccc1)c1ccc2cc(O)ccc2c1.CCC1(OC(=O)C(C)(C)CC(C)(CC(C)(CC)C(=O)Oc2ccc(O)cc2)C(=O)OC(C)(C)c2ccccc2)CCCC1.CCOC(C)OC(=O)C(C)(CC(C)(C)C(=O)OC1(CC)CCCC1)CC(C)(CC)C(=O)Oc1ccc(O)cc1
InChIInChI=1S/C39H52O5.C36H50O7.C32H48O6.C31H48O8.C25H29NO5.24CH4/c1-8-28(29-18-19-31-25-33(40)21-20-30(31)24-29)26-37(6,35(42)43-38(7,9-2)32-16-12-11-13-17-32)27-36(4,5)34(41)44-39(10-3)22-14-15-23-39;1-9-34(7,30(39)41-28-20-18-27(37)19-21-28)25-35(8,31(40)42-33(5,6)26-16-12-11-13-17-26)24-32(3,4)29(38)43-36(10-2)22-14-15-23-36;1-7-23(24-14-15-25(33)26(34)20-24)21-30(6,28(36)38-32(9-3)18-12-13-19-32)22-29(4,5)27(35)37-31(8-2)16-10-11-17-31;1-9-29(7,26(34)38-24-16-14-23(32)15-17-24)21-30(8,27(35)37-22(4)36-11-3)20-28(5,6)25(33)39-31(10-2)18-12-13-19-31;1-15(17-6-8-18(9-7-17)24(30)31-25(3,4)5)14-21-16(2)22(28)26(23(21)29)19-10-12-20(27)13-11-19;;;;;;;;;;;;;;;;;;;;;;;;/h11-13,16-21,24-25,28,40H,8-10,14-15,22-23,26-27H2,1-7H3;11-13,16-21,37H,9-10,14-15,22-25H2,1-8H3;8,14-15,20,23,33-34H,2,7,9-13,16-19,21-22H2,1,3-6H3;14-17,22,32H,9-13,18-21H2,1-8H3;6-13,15-16,21,27H,14H2,1-5H3;24*1H4
InChIKeyGKMJXULVBDOKDH-UHFFFAOYSA-N
XLogP52.62
TPSA457.29 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds57
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003081.62
LogP ≤ 552.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl 4-[1-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propan-2-yl]benzoate;1-O-(1-ethenylcyclopentyl) 5-O-(1-ethylcyclopentyl) 4-[2-(3,4-dihydroxyphenyl)butyl]-2,2,4-trimethylpentanedioate;3-O-(1-ethoxyethyl) 1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 3-O-(2-phenylpropan-2-yl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(2-phenylbutan-2-yl) 4-[2-(6-hydroxynaphthalen-2-yl)butyl]-2,2,4-trimethylpentanedioate;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propan-2-yl]benzoate;1-O-(1-ethenylcyclopentyl) 5-O-(1-ethylcyclopentyl) 4-[2-(3,4-dihydroxyphenyl)butyl]-2,2,4-trimethylpentanedioate;3-O-(1-ethoxyethyl) 1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 3-O-(2-phenylpropan-2-yl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(2-phenylbutan-2-yl) 4-[2-(6-hydroxynaphthalen-2-yl)butyl]-2,2,4-trimethylpentanedioate;methane?
The IUPAC name of tert-butyl 4-[1-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propan-2-yl]benzoate;1-O-(1-ethenylcyclopentyl) 5-O-(1-ethylcyclopentyl) 4-[2-(3,4-dihydroxyphenyl)butyl]-2,2,4-trimethylpentanedioate;3-O-(1-ethoxyethyl) 1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 3-O-(2-phenylpropan-2-yl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(2-phenylbutan-2-yl) 4-[2-(6-hydroxynaphthalen-2-yl)butyl]-2,2,4-trimethylpentanedioate;methane (CID 164987853) is tert-butyl 4-[1-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propan-2-yl]benzoate;1-O-(1-ethenylcyclopentyl) 5-O-(1-ethylcyclopentyl) 4-[2-(3,4-dihydroxyphenyl)butyl]-2,2,4-trimethylpentanedioate;3-O-(1-ethoxyethyl) 1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 3-O-(2-phenylpropan-2-yl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(2-phenylbutan-2-yl) 4-[2-(6-hydroxynaphthalen-2-yl)butyl]-2,2,4-trimethylpentanedioate;methane.
What is the SMILES notation for tert-butyl 4-[1-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propan-2-yl]benzoate;1-O-(1-ethenylcyclopentyl) 5-O-(1-ethylcyclopentyl) 4-[2-(3,4-dihydroxyphenyl)butyl]-2,2,4-trimethylpentanedioate;3-O-(1-ethoxyethyl) 1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 3-O-(2-phenylpropan-2-yl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(2-phenylbutan-2-yl) 4-[2-(6-hydroxynaphthalen-2-yl)butyl]-2,2,4-trimethylpentanedioate;methane?
The canonical SMILES for tert-butyl 4-[1-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propan-2-yl]benzoate;1-O-(1-ethenylcyclopentyl) 5-O-(1-ethylcyclopentyl) 4-[2-(3,4-dihydroxyphenyl)butyl]-2,2,4-trimethylpentanedioate;3-O-(1-ethoxyethyl) 1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 3-O-(2-phenylpropan-2-yl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(2-phenylbutan-2-yl) 4-[2-(6-hydroxynaphthalen-2-yl)butyl]-2,2,4-trimethylpentanedioate;methane is 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=CC1(OC(=O)C(C)(C)CC(C)(CC(CC)c2ccc(O)c(O)c2)C(=O)OC2(CC)CCCC2)CCCC1.CC(CC1C(=O)N(c2ccc(O)cc2)C(=O)C1C)c1ccc(C(=O)OC(C)(C)C)cc1.CCC(CC(C)(CC(C)(C)C(=O)OC1(CC)CCCC1)C(=O)OC(C)(CC)c1ccccc1)c1ccc2cc(O)ccc2c1.CCC1(OC(=O)C(C)(C)CC(C)(CC(C)(CC)C(=O)Oc2ccc(O)cc2)C(=O)OC(C)(C)c2ccccc2)CCCC1.CCOC(C)OC(=O)C(C)(CC(C)(C)C(=O)OC1(CC)CCCC1)CC(C)(CC)C(=O)Oc1ccc(O)cc1.
What is the InChIKey of tert-butyl 4-[1-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propan-2-yl]benzoate;1-O-(1-ethenylcyclopentyl) 5-O-(1-ethylcyclopentyl) 4-[2-(3,4-dihydroxyphenyl)butyl]-2,2,4-trimethylpentanedioate;3-O-(1-ethoxyethyl) 1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 3-O-(2-phenylpropan-2-yl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(2-phenylbutan-2-yl) 4-[2-(6-hydroxynaphthalen-2-yl)butyl]-2,2,4-trimethylpentanedioate;methane?
The InChIKey is GKMJXULVBDOKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H52O5.C36H50O7.C32H48O6.C31H48O8.C25H29NO5.24CH4/c1-8-28(29-18-19-31-25-33(40)21-20-30(31)24-29)26-37(6,35(42)43-38(7,9-2)32-16-12-11-13-17-32)27-36(4,5)34(41)44-39(10-3)22-14-15-23-39;1-9-34(7,30(39)41-28-20-18-27(37)19-21-28)25-35(8,31(40)42-33(5,6)26-16-12-11-13-17-26)24-32(3,4)29(38)43-36(10-2)22-14-15-23-36;1-7-23(24-14-15-25(33)26(34)20-24)21-30(6,28(36)38-32(9-3)18-12-13-19-32)22-29(4,5)27(35)37-31(8-2)16-10-11-17-31;1-9-29(7,26(34)38-24-16-14-23(32)15-17-24)21-30(8,27(35)37-22(4)36-11-3)20-28(5,6)25(33)39-31(10-2)18-12-13-19-31;1-15(17-6-8-18(9-7-17)24(30)31-25(3,4)5)14-21-16(2)22(28)26(23(21)29)19-10-12-20(27)13-11-19;;;;;;;;;;;;;;;;;;;;;;;;/h11-13,16-21,24-25,28,40H,8-10,14-15,22-23,26-27H2,1-7H3;11-13,16-21,37H,9-10,14-15,22-25H2,1-8H3;8,14-15,20,23,33-34H,2,7,9-13,16-19,21-22H2,1,3-6H3;14-17,22,32H,9-13,18-21H2,1-8H3;6-13,15-16,21,27H,14H2,1-5H3;24*1H4.
What are the key properties of tert-butyl 4-[1-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propan-2-yl]benzoate;1-O-(1-ethenylcyclopentyl) 5-O-(1-ethylcyclopentyl) 4-[2-(3,4-dihydroxyphenyl)butyl]-2,2,4-trimethylpentanedioate;3-O-(1-ethoxyethyl) 1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 3-O-(2-phenylpropan-2-yl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(2-phenylbutan-2-yl) 4-[2-(6-hydroxynaphthalen-2-yl)butyl]-2,2,4-trimethylpentanedioate;methane?
tert-butyl 4-[1-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propan-2-yl]benzoate;1-O-(1-ethenylcyclopentyl) 5-O-(1-ethylcyclopentyl) 4-[2-(3,4-dihydroxyphenyl)butyl]-2,2,4-trimethylpentanedioate;3-O-(1-ethoxyethyl) 1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 3-O-(2-phenylpropan-2-yl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(2-phenylbutan-2-yl) 4-[2-(6-hydroxynaphthalen-2-yl)butyl]-2,2,4-trimethylpentanedioate;methane has a molecular weight of 3081.62 g/mol, XLogP of 52.62, 57 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propan-2-yl]benzoate;1-O-(1-ethenylcyclopentyl) 5-O-(1-ethylcyclopentyl) 4-[2-(3,4-dihydroxyphenyl)butyl]-2,2,4-trimethylpentanedioate;3-O-(1-ethoxyethyl) 1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(4-hydroxyphenyl) 3-O-(2-phenylpropan-2-yl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate;1-O-(1-ethylcyclopentyl) 5-O-(2-phenylbutan-2-yl) 4-[2-(6-hydroxynaphthalen-2-yl)butyl]-2,2,4-trimethylpentanedioate;methane is sourced from PubChem (CID 164987853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).