2,2-bis[(2,4-dimethoxybenzoyl)oxymethyl]butyl 2,4-dimethoxybenzoate;2,2-bis[(3,4-dimethoxybenzoyl)oxymethyl]butyl 3,4-dimethoxybenzoate;2,2-bis[(3,5-dimethoxybenzoyl)oxymethyl]butyl 3,5-dimethoxybenzoate;2,2-bis[(3-methoxybenzoyl)oxymethyl]butyl 3-methoxybenzoate;2,2-bis[(3,4,5-trimethoxybenzoyl)oxymethyl]butyl 2,3,4,5-tetramethoxybenzoate;[2-[(2,6-dimethoxybenzoyl)oxymethyl]-2-[(2-methoxybenzoyl)oxymethyl]butyl] 2,6-dimethoxybenzoate;[2-[[4-(hydroxymethyl)benzoyl]oxymethyl]-2-[(4-methoxybenzoyl)oxymethyl]butyl] 3-methoxybenzoate;methyl 2-[2-oxo-2-[2,3,4-tris[[2-(2-methoxycarbonylphenyl)acetyl]oxy]butoxy]ethyl]benzoate

C272H302O97 — CID 159858937

IUPAC2,2-bis[(2,4-dimethoxybenzoyl)oxymethyl]butyl 2,4-dimethoxybenzoate;2,2-bis[(3,4-dimethoxybenzoyl)oxymethyl]butyl 3,4-dimethoxybenzoate;2,2-bis[(3,5-dimethoxybenzoyl)oxymethyl]butyl 3,5-dimethoxybenzoate;2,2-bis[(3-methoxybenzoyl)oxymethyl]butyl 3-methoxybenzoate;2,2-bis[(3,4,5-trimethoxybenzoyl)oxymethyl]butyl 2,3,4,5-tetramethoxybenzoate;[2-[(2,6-dimethoxybenzoyl)oxymethyl]-2-[(2-methoxybenzoyl)oxymethyl]butyl] 2,6-dimethoxybenzoate;[2-[[4-(hydroxymethyl)benzoyl]oxymethyl]-2-[(4-methoxybenzoyl)oxymethyl]butyl] 3-methoxybenzoate;methyl 2-[2-oxo-2-[2,3,4-tris[[2-(2-methoxycarbonylphenyl)acetyl]oxy]butoxy]ethyl]benzoate
SMILESCCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(COC(=O)c1cc(OC)c(OC)c(OC)c1)COC(=O)c1cc(OC)c(OC)c(OC)c1OC.CCC(COC(=O)c1cc(OC)cc(OC)c1)(COC(=O)c1cc(OC)cc(OC)c1)COC(=O)c1cc(OC)cc(OC)c1.CCC(COC(=O)c1ccc(CO)cc1)(COC(=O)c1ccc(OC)cc1)COC(=O)c1cccc(OC)c1.CCC(COC(=O)c1ccc(OC)c(OC)c1)(COC(=O)c1ccc(OC)c(OC)c1)COC(=O)c1ccc(OC)c(OC)c1.CCC(COC(=O)c1ccc(OC)cc1OC)(COC(=O)c1ccc(OC)cc1OC)COC(=O)c1ccc(OC)cc1OC.CCC(COC(=O)c1cccc(OC)c1)(COC(=O)c1cccc(OC)c1)COC(=O)c1cccc(OC)c1.CCC(COC(=O)c1ccccc1OC)(COC(=O)c1c(OC)cccc1OC)COC(=O)c1c(OC)cccc1OC.COC(=O)c1ccccc1CC(=O)OCC(OC(=O)Cc1ccccc1C(=O)OC)C(COC(=O)Cc1ccccc1C(=O)OC)OC(=O)Cc1ccccc1C(=O)OC
InChIInChI=1S/C44H42O16.C37H46O16.3C33H38O12.C32H36O11.2C30H32O9/c1-53-41(49)31-17-9-5-13-27(31)21-37(45)57-25-35(59-39(47)23-29-15-7-11-19-33(29)43(51)55-3)36(60-40(48)24-30-16-8-12-20-34(30)44(52)56-4)26-58-38(46)22-28-14-6-10-18-32(28)42(50)54-2;1-12-37(18-51-34(38)21-13-24(41-2)30(47-8)25(14-21)42-3,19-52-35(39)22-15-26(43-4)31(48-9)27(16-22)44-5)20-53-36(40)23-17-28(45-6)32(49-10)33(50-11)29(23)46-7;1-8-33(18-43-30(34)21-9-24(37-2)15-25(10-21)38-3,19-44-31(35)22-11-26(39-4)16-27(12-22)40-5)20-45-32(36)23-13-28(41-6)17-29(14-23)42-7;1-8-33(18-43-30(34)24-12-9-21(37-2)15-27(24)40-5,19-44-31(35)25-13-10-22(38-3)16-28(25)41-6)20-45-32(36)26-14-11-23(39-4)17-29(26)42-7;1-8-33(18-43-30(34)21-9-12-24(37-2)27(15-21)40-5,19-44-31(35)22-10-13-25(38-3)28(16-22)41-6)20-45-32(36)23-11-14-26(39-4)29(17-23)42-7;1-7-32(18-41-29(33)21-12-8-9-13-22(21)36-2,19-42-30(34)27-23(37-3)14-10-15-24(27)38-4)20-43-31(35)28-25(39-5)16-11-17-26(28)40-6;1-5-30(18-37-27(31)21-9-6-12-24(15-21)34-2,19-38-28(32)22-10-7-13-25(16-22)35-3)20-39-29(33)23-11-8-14-26(17-23)36-4;1-4-30(18-37-27(32)22-10-8-21(17-31)9-11-22,19-38-28(33)23-12-14-25(35-2)15-13-23)20-39-29(34)24-6-5-7-26(16-24)36-3/h5-20,35-36H,21-26H2,1-4H3;13-17H,12,18-20H2,1-11H3;3*9-17H,8,18-20H2,1-7H3;8-17H,7,18-20H2,1-6H3;6-17H,5,18-20H2,1-4H3;5-16,31H,4,17-20H2,1-3H3
InChIKeyNQWSZYFSGAZRMU-UHFFFAOYSA-N
MW5123.31 g/mol
LogP38.51
Rot. Bonds128

About 2,2-bis[(2,4-dimethoxybenzoyl)oxymethyl]butyl 2,4-dimethoxybenzoate;2,2-bis[(3,4-dimethoxybenzoyl)oxymethyl]butyl 3,4-dimethoxybenzoate;2,2-bis[(3,5-dimethoxybenzoyl)oxymethyl]butyl 3,5-dimethoxybenzoate;2,2-bis[(3-methoxybenzoyl)oxymethyl]butyl 3-methoxybenzoate;2,2-bis[(3,4,5-trimethoxybenzoyl)oxymethyl]butyl 2,3,4,5-tetramethoxybenzoate;[2-[(2,6-dimethoxybenzoyl)oxymethyl]-2-[(2-methoxybenzoyl)oxymethyl]butyl] 2,6-dimethoxybenzoate;[2-[[4-(hydroxymethyl)benzoyl]oxymethyl]-2-[(4-methoxybenzoyl)oxymethyl]butyl] 3-methoxybenzoate;methyl 2-[2-oxo-2-[2,3,4-tris[[2-(2-methoxycarbonylphenyl)acetyl]oxy]butoxy]ethyl]benzoate

2,2-bis[(2,4-dimethoxybenzoyl)oxymethyl]butyl 2,4-dimethoxybenzoate;2,2-bis[(3,4-dimethoxybenzoyl)oxymethyl]butyl 3,4-dimethoxybenzoate;2,2-bis[(3,5-dimethoxybenzoyl)oxymethyl]butyl 3,5-dimethoxybenzoate;2,2-bis[(3-methoxybenzoyl)oxymethyl]butyl 3-methoxybenzoate;2,2-bis[(3,4,5-trimethoxybenzoyl)oxymethyl]butyl 2,3,4,5-tetramethoxybenzoate;[2-[(2,6-dimethoxybenzoyl)oxymethyl]-2-[(2-methoxybenzoyl)oxymethyl]butyl] 2,6-dimethoxybenzoate;[2-[[4-(hydroxymethyl)benzoyl]oxymethyl]-2-[(4-methoxybenzoyl)oxymethyl]butyl] 3-methoxybenzoate;methyl 2-[2-oxo-2-[2,3,4-tris[[2-(2-methoxycarbonylphenyl)acetyl]oxy]butoxy]ethyl]benzoate (PubChem CID 159858937) has the molecular formula C272H302O97 and a molecular weight of 5123.31 g/mol. Its IUPAC name is 2,2-bis[(2,4-dimethoxybenzoyl)oxymethyl]butyl 2,4-dimethoxybenzoate;2,2-bis[(3,4-dimethoxybenzoyl)oxymethyl]butyl 3,4-dimethoxybenzoate;2,2-bis[(3,5-dimethoxybenzoyl)oxymethyl]butyl 3,5-dimethoxybenzoate;2,2-bis[(3-methoxybenzoyl)oxymethyl]butyl 3-methoxybenzoate;2,2-bis[(3,4,5-trimethoxybenzoyl)oxymethyl]butyl 2,3,4,5-tetramethoxybenzoate;[2-[(2,6-dimethoxybenzoyl)oxymethyl]-2-[(2-methoxybenzoyl)oxymethyl]butyl] 2,6-dimethoxybenzoate;[2-[[4-(hydroxymethyl)benzoyl]oxymethyl]-2-[(4-methoxybenzoyl)oxymethyl]butyl] 3-methoxybenzoate;methyl 2-[2-oxo-2-[2,3,4-tris[[2-(2-methoxycarbonylphenyl)acetyl]oxy]butoxy]ethyl]benzoate.

Molecular Properties

Compound Name2,2-bis[(2,4-dimethoxybenzoyl)oxymethyl]butyl 2,4-dimethoxybenzoate;2,2-bis[(3,4-dimethoxybenzoyl)oxymethyl]butyl 3,4-dimethoxybenzoate;2,2-bis[(3,5-dimethoxybenzoyl)oxymethyl]butyl 3,5-dimethoxybenzoate;2,2-bis[(3-methoxybenzoyl)oxymethyl]butyl 3-methoxybenzoate;2,2-bis[(3,4,5-trimethoxybenzoyl)oxymethyl]butyl 2,3,4,5-tetramethoxybenzoate;[2-[(2,6-dimethoxybenzoyl)oxymethyl]-2-[(2-methoxybenzoyl)oxymethyl]butyl] 2,6-dimethoxybenzoate;[2-[[4-(hydroxymethyl)benzoyl]oxymethyl]-2-[(4-methoxybenzoyl)oxymethyl]butyl] 3-methoxybenzoate;methyl 2-[2-oxo-2-[2,3,4-tris[[2-(2-methoxycarbonylphenyl)acetyl]oxy]butoxy]ethyl]benzoate
PubChem CID159858937
Molecular FormulaC272H302O97
Molecular Weight5123.31 g/mol
Exact Mass5119.87
IUPAC Name2,2-bis[(2,4-dimethoxybenzoyl)oxymethyl]butyl 2,4-dimethoxybenzoate;2,2-bis[(3,4-dimethoxybenzoyl)oxymethyl]butyl 3,4-dimethoxybenzoate;2,2-bis[(3,5-dimethoxybenzoyl)oxymethyl]butyl 3,5-dimethoxybenzoate;2,2-bis[(3-methoxybenzoyl)oxymethyl]butyl 3-methoxybenzoate;2,2-bis[(3,4,5-trimethoxybenzoyl)oxymethyl]butyl 2,3,4,5-tetramethoxybenzoate;[2-[(2,6-dimethoxybenzoyl)oxymethyl]-2-[(2-methoxybenzoyl)oxymethyl]butyl] 2,6-dimethoxybenzoate;[2-[[4-(hydroxymethyl)benzoyl]oxymethyl]-2-[(4-methoxybenzoyl)oxymethyl]butyl] 3-methoxybenzoate;methyl 2-[2-oxo-2-[2,3,4-tris[[2-(2-methoxycarbonylphenyl)acetyl]oxy]butoxy]ethyl]benzoate
SMILESCCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(COC(=O)c1cc(OC)c(OC)c(OC)c1)COC(=O)c1cc(OC)c(OC)c(OC)c1OC.CCC(COC(=O)c1cc(OC)cc(OC)c1)(COC(=O)c1cc(OC)cc(OC)c1)COC(=O)c1cc(OC)cc(OC)c1.CCC(COC(=O)c1ccc(CO)cc1)(COC(=O)c1ccc(OC)cc1)COC(=O)c1cccc(OC)c1.CCC(COC(=O)c1ccc(OC)c(OC)c1)(COC(=O)c1ccc(OC)c(OC)c1)COC(=O)c1ccc(OC)c(OC)c1.CCC(COC(=O)c1ccc(OC)cc1OC)(COC(=O)c1ccc(OC)cc1OC)COC(=O)c1ccc(OC)cc1OC.CCC(COC(=O)c1cccc(OC)c1)(COC(=O)c1cccc(OC)c1)COC(=O)c1cccc(OC)c1.CCC(COC(=O)c1ccccc1OC)(COC(=O)c1c(OC)cccc1OC)COC(=O)c1c(OC)cccc1OC.COC(=O)c1ccccc1CC(=O)OCC(OC(=O)Cc1ccccc1C(=O)OC)C(COC(=O)Cc1ccccc1C(=O)OC)OC(=O)Cc1ccccc1C(=O)OC
InChIInChI=1S/C44H42O16.C37H46O16.3C33H38O12.C32H36O11.2C30H32O9/c1-53-41(49)31-17-9-5-13-27(31)21-37(45)57-25-35(59-39(47)23-29-15-7-11-19-33(29)43(51)55-3)36(60-40(48)24-30-16-8-12-20-34(30)44(52)56-4)26-58-38(46)22-28-14-6-10-18-32(28)42(50)54-2;1-12-37(18-51-34(38)21-13-24(41-2)30(47-8)25(14-21)42-3,19-52-35(39)22-15-26(43-4)31(48-9)27(16-22)44-5)20-53-36(40)23-17-28(45-6)32(49-10)33(50-11)29(23)46-7;1-8-33(18-43-30(34)21-9-24(37-2)15-25(10-21)38-3,19-44-31(35)22-11-26(39-4)16-27(12-22)40-5)20-45-32(36)23-13-28(41-6)17-29(14-23)42-7;1-8-33(18-43-30(34)24-12-9-21(37-2)15-27(24)40-5,19-44-31(35)25-13-10-22(38-3)16-28(25)41-6)20-45-32(36)26-14-11-23(39-4)17-29(26)42-7;1-8-33(18-43-30(34)21-9-12-24(37-2)27(15-21)40-5,19-44-31(35)22-10-13-25(38-3)28(16-22)41-6)20-45-32(36)23-11-14-26(39-4)29(17-23)42-7;1-7-32(18-41-29(33)21-12-8-9-13-22(21)36-2,19-42-30(34)27-23(37-3)14-10-15-24(27)38-4)20-43-31(35)28-25(39-5)16-11-17-26(28)40-6;1-5-30(18-37-27(31)21-9-6-12-24(15-21)34-2,19-38-28(32)22-10-7-13-25(16-22)35-3)20-39-29(33)23-11-8-14-26(17-23)36-4;1-4-30(18-37-27(32)22-10-8-21(17-31)9-11-22,19-38-28(33)23-12-14-25(35-2)15-13-23)20-39-29(34)24-6-5-7-26(16-24)36-3/h5-20,35-36H,21-26H2,1-4H3;13-17H,12,18-20H2,1-11H3;3*9-17H,8,18-20H2,1-7H3;8-17H,7,18-20H2,1-6H3;6-17H,5,18-20H2,1-4H3;5-16,31H,4,17-20H2,1-3H3
InChIKeyNQWSZYFSGAZRMU-UHFFFAOYSA-N
XLogP38.51
TPSA1133.67 Ų
H-Bond Donors1
H-Bond Acceptors97
Rotatable Bonds128
Heavy Atoms369
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005123.31
LogP ≤ 538.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1097

Analyze 2,2-bis[(2,4-dimethoxybenzoyl)oxymethyl]butyl 2,4-dimethoxybenzoate;2,2-bis[(3,4-dimethoxybenzoyl)oxymethyl]butyl 3,4-dimethoxybenzoate;2,2-bis[(3,5-dimethoxybenzoyl)oxymethyl]butyl 3,5-dimethoxybenzoate;2,2-bis[(3-methoxybenzoyl)oxymethyl]butyl 3-methoxybenzoate;2,2-bis[(3,4,5-trimethoxybenzoyl)oxymethyl]butyl 2,3,4,5-tetramethoxybenzoate;[2-[(2,6-dimethoxybenzoyl)oxymethyl]-2-[(2-methoxybenzoyl)oxymethyl]butyl] 2,6-dimethoxybenzoate;[2-[[4-(hydroxymethyl)benzoyl]oxymethyl]-2-[(4-methoxybenzoyl)oxymethyl]butyl] 3-methoxybenzoate;methyl 2-[2-oxo-2-[2,3,4-tris[[2-(2-methoxycarbonylphenyl)acetyl]oxy]butoxy]ethyl]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis[(2,4-dimethoxybenzoyl)oxymethyl]butyl 2,4-dimethoxybenzoate;2,2-bis[(3,4-dimethoxybenzoyl)oxymethyl]butyl 3,4-dimethoxybenzoate;2,2-bis[(3,5-dimethoxybenzoyl)oxymethyl]butyl 3,5-dimethoxybenzoate;2,2-bis[(3-methoxybenzoyl)oxymethyl]butyl 3-methoxybenzoate;2,2-bis[(3,4,5-trimethoxybenzoyl)oxymethyl]butyl 2,3,4,5-tetramethoxybenzoate;[2-[(2,6-dimethoxybenzoyl)oxymethyl]-2-[(2-methoxybenzoyl)oxymethyl]butyl] 2,6-dimethoxybenzoate;[2-[[4-(hydroxymethyl)benzoyl]oxymethyl]-2-[(4-methoxybenzoyl)oxymethyl]butyl] 3-methoxybenzoate;methyl 2-[2-oxo-2-[2,3,4-tris[[2-(2-methoxycarbonylphenyl)acetyl]oxy]butoxy]ethyl]benzoate?
The IUPAC name of 2,2-bis[(2,4-dimethoxybenzoyl)oxymethyl]butyl 2,4-dimethoxybenzoate;2,2-bis[(3,4-dimethoxybenzoyl)oxymethyl]butyl 3,4-dimethoxybenzoate;2,2-bis[(3,5-dimethoxybenzoyl)oxymethyl]butyl 3,5-dimethoxybenzoate;2,2-bis[(3-methoxybenzoyl)oxymethyl]butyl 3-methoxybenzoate;2,2-bis[(3,4,5-trimethoxybenzoyl)oxymethyl]butyl 2,3,4,5-tetramethoxybenzoate;[2-[(2,6-dimethoxybenzoyl)oxymethyl]-2-[(2-methoxybenzoyl)oxymethyl]butyl] 2,6-dimethoxybenzoate;[2-[[4-(hydroxymethyl)benzoyl]oxymethyl]-2-[(4-methoxybenzoyl)oxymethyl]butyl] 3-methoxybenzoate;methyl 2-[2-oxo-2-[2,3,4-tris[[2-(2-methoxycarbonylphenyl)acetyl]oxy]butoxy]ethyl]benzoate (CID 159858937) is 2,2-bis[(2,4-dimethoxybenzoyl)oxymethyl]butyl 2,4-dimethoxybenzoate;2,2-bis[(3,4-dimethoxybenzoyl)oxymethyl]butyl 3,4-dimethoxybenzoate;2,2-bis[(3,5-dimethoxybenzoyl)oxymethyl]butyl 3,5-dimethoxybenzoate;2,2-bis[(3-methoxybenzoyl)oxymethyl]butyl 3-methoxybenzoate;2,2-bis[(3,4,5-trimethoxybenzoyl)oxymethyl]butyl 2,3,4,5-tetramethoxybenzoate;[2-[(2,6-dimethoxybenzoyl)oxymethyl]-2-[(2-methoxybenzoyl)oxymethyl]butyl] 2,6-dimethoxybenzoate;[2-[[4-(hydroxymethyl)benzoyl]oxymethyl]-2-[(4-methoxybenzoyl)oxymethyl]butyl] 3-methoxybenzoate;methyl 2-[2-oxo-2-[2,3,4-tris[[2-(2-methoxycarbonylphenyl)acetyl]oxy]butoxy]ethyl]benzoate.
What is the SMILES notation for 2,2-bis[(2,4-dimethoxybenzoyl)oxymethyl]butyl 2,4-dimethoxybenzoate;2,2-bis[(3,4-dimethoxybenzoyl)oxymethyl]butyl 3,4-dimethoxybenzoate;2,2-bis[(3,5-dimethoxybenzoyl)oxymethyl]butyl 3,5-dimethoxybenzoate;2,2-bis[(3-methoxybenzoyl)oxymethyl]butyl 3-methoxybenzoate;2,2-bis[(3,4,5-trimethoxybenzoyl)oxymethyl]butyl 2,3,4,5-tetramethoxybenzoate;[2-[(2,6-dimethoxybenzoyl)oxymethyl]-2-[(2-methoxybenzoyl)oxymethyl]butyl] 2,6-dimethoxybenzoate;[2-[[4-(hydroxymethyl)benzoyl]oxymethyl]-2-[(4-methoxybenzoyl)oxymethyl]butyl] 3-methoxybenzoate;methyl 2-[2-oxo-2-[2,3,4-tris[[2-(2-methoxycarbonylphenyl)acetyl]oxy]butoxy]ethyl]benzoate?
The canonical SMILES for 2,2-bis[(2,4-dimethoxybenzoyl)oxymethyl]butyl 2,4-dimethoxybenzoate;2,2-bis[(3,4-dimethoxybenzoyl)oxymethyl]butyl 3,4-dimethoxybenzoate;2,2-bis[(3,5-dimethoxybenzoyl)oxymethyl]butyl 3,5-dimethoxybenzoate;2,2-bis[(3-methoxybenzoyl)oxymethyl]butyl 3-methoxybenzoate;2,2-bis[(3,4,5-trimethoxybenzoyl)oxymethyl]butyl 2,3,4,5-tetramethoxybenzoate;[2-[(2,6-dimethoxybenzoyl)oxymethyl]-2-[(2-methoxybenzoyl)oxymethyl]butyl] 2,6-dimethoxybenzoate;[2-[[4-(hydroxymethyl)benzoyl]oxymethyl]-2-[(4-methoxybenzoyl)oxymethyl]butyl] 3-methoxybenzoate;methyl 2-[2-oxo-2-[2,3,4-tris[[2-(2-methoxycarbonylphenyl)acetyl]oxy]butoxy]ethyl]benzoate is CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(COC(=O)c1cc(OC)c(OC)c(OC)c1)COC(=O)c1cc(OC)c(OC)c(OC)c1OC.CCC(COC(=O)c1cc(OC)cc(OC)c1)(COC(=O)c1cc(OC)cc(OC)c1)COC(=O)c1cc(OC)cc(OC)c1.CCC(COC(=O)c1ccc(CO)cc1)(COC(=O)c1ccc(OC)cc1)COC(=O)c1cccc(OC)c1.CCC(COC(=O)c1ccc(OC)c(OC)c1)(COC(=O)c1ccc(OC)c(OC)c1)COC(=O)c1ccc(OC)c(OC)c1.CCC(COC(=O)c1ccc(OC)cc1OC)(COC(=O)c1ccc(OC)cc1OC)COC(=O)c1ccc(OC)cc1OC.CCC(COC(=O)c1cccc(OC)c1)(COC(=O)c1cccc(OC)c1)COC(=O)c1cccc(OC)c1.CCC(COC(=O)c1ccccc1OC)(COC(=O)c1c(OC)cccc1OC)COC(=O)c1c(OC)cccc1OC.COC(=O)c1ccccc1CC(=O)OCC(OC(=O)Cc1ccccc1C(=O)OC)C(COC(=O)Cc1ccccc1C(=O)OC)OC(=O)Cc1ccccc1C(=O)OC.
What is the InChIKey of 2,2-bis[(2,4-dimethoxybenzoyl)oxymethyl]butyl 2,4-dimethoxybenzoate;2,2-bis[(3,4-dimethoxybenzoyl)oxymethyl]butyl 3,4-dimethoxybenzoate;2,2-bis[(3,5-dimethoxybenzoyl)oxymethyl]butyl 3,5-dimethoxybenzoate;2,2-bis[(3-methoxybenzoyl)oxymethyl]butyl 3-methoxybenzoate;2,2-bis[(3,4,5-trimethoxybenzoyl)oxymethyl]butyl 2,3,4,5-tetramethoxybenzoate;[2-[(2,6-dimethoxybenzoyl)oxymethyl]-2-[(2-methoxybenzoyl)oxymethyl]butyl] 2,6-dimethoxybenzoate;[2-[[4-(hydroxymethyl)benzoyl]oxymethyl]-2-[(4-methoxybenzoyl)oxymethyl]butyl] 3-methoxybenzoate;methyl 2-[2-oxo-2-[2,3,4-tris[[2-(2-methoxycarbonylphenyl)acetyl]oxy]butoxy]ethyl]benzoate?
The InChIKey is NQWSZYFSGAZRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42O16.C37H46O16.3C33H38O12.C32H36O11.2C30H32O9/c1-53-41(49)31-17-9-5-13-27(31)21-37(45)57-25-35(59-39(47)23-29-15-7-11-19-33(29)43(51)55-3)36(60-40(48)24-30-16-8-12-20-34(30)44(52)56-4)26-58-38(46)22-28-14-6-10-18-32(28)42(50)54-2;1-12-37(18-51-34(38)21-13-24(41-2)30(47-8)25(14-21)42-3,19-52-35(39)22-15-26(43-4)31(48-9)27(16-22)44-5)20-53-36(40)23-17-28(45-6)32(49-10)33(50-11)29(23)46-7;1-8-33(18-43-30(34)21-9-24(37-2)15-25(10-21)38-3,19-44-31(35)22-11-26(39-4)16-27(12-22)40-5)20-45-32(36)23-13-28(41-6)17-29(14-23)42-7;1-8-33(18-43-30(34)24-12-9-21(37-2)15-27(24)40-5,19-44-31(35)25-13-10-22(38-3)16-28(25)41-6)20-45-32(36)26-14-11-23(39-4)17-29(26)42-7;1-8-33(18-43-30(34)21-9-12-24(37-2)27(15-21)40-5,19-44-31(35)22-10-13-25(38-3)28(16-22)41-6)20-45-32(36)23-11-14-26(39-4)29(17-23)42-7;1-7-32(18-41-29(33)21-12-8-9-13-22(21)36-2,19-42-30(34)27-23(37-3)14-10-15-24(27)38-4)20-43-31(35)28-25(39-5)16-11-17-26(28)40-6;1-5-30(18-37-27(31)21-9-6-12-24(15-21)34-2,19-38-28(32)22-10-7-13-25(16-22)35-3)20-39-29(33)23-11-8-14-26(17-23)36-4;1-4-30(18-37-27(32)22-10-8-21(17-31)9-11-22,19-38-28(33)23-12-14-25(35-2)15-13-23)20-39-29(34)24-6-5-7-26(16-24)36-3/h5-20,35-36H,21-26H2,1-4H3;13-17H,12,18-20H2,1-11H3;3*9-17H,8,18-20H2,1-7H3;8-17H,7,18-20H2,1-6H3;6-17H,5,18-20H2,1-4H3;5-16,31H,4,17-20H2,1-3H3.
What are the key properties of 2,2-bis[(2,4-dimethoxybenzoyl)oxymethyl]butyl 2,4-dimethoxybenzoate;2,2-bis[(3,4-dimethoxybenzoyl)oxymethyl]butyl 3,4-dimethoxybenzoate;2,2-bis[(3,5-dimethoxybenzoyl)oxymethyl]butyl 3,5-dimethoxybenzoate;2,2-bis[(3-methoxybenzoyl)oxymethyl]butyl 3-methoxybenzoate;2,2-bis[(3,4,5-trimethoxybenzoyl)oxymethyl]butyl 2,3,4,5-tetramethoxybenzoate;[2-[(2,6-dimethoxybenzoyl)oxymethyl]-2-[(2-methoxybenzoyl)oxymethyl]butyl] 2,6-dimethoxybenzoate;[2-[[4-(hydroxymethyl)benzoyl]oxymethyl]-2-[(4-methoxybenzoyl)oxymethyl]butyl] 3-methoxybenzoate;methyl 2-[2-oxo-2-[2,3,4-tris[[2-(2-methoxycarbonylphenyl)acetyl]oxy]butoxy]ethyl]benzoate?
2,2-bis[(2,4-dimethoxybenzoyl)oxymethyl]butyl 2,4-dimethoxybenzoate;2,2-bis[(3,4-dimethoxybenzoyl)oxymethyl]butyl 3,4-dimethoxybenzoate;2,2-bis[(3,5-dimethoxybenzoyl)oxymethyl]butyl 3,5-dimethoxybenzoate;2,2-bis[(3-methoxybenzoyl)oxymethyl]butyl 3-methoxybenzoate;2,2-bis[(3,4,5-trimethoxybenzoyl)oxymethyl]butyl 2,3,4,5-tetramethoxybenzoate;[2-[(2,6-dimethoxybenzoyl)oxymethyl]-2-[(2-methoxybenzoyl)oxymethyl]butyl] 2,6-dimethoxybenzoate;[2-[[4-(hydroxymethyl)benzoyl]oxymethyl]-2-[(4-methoxybenzoyl)oxymethyl]butyl] 3-methoxybenzoate;methyl 2-[2-oxo-2-[2,3,4-tris[[2-(2-methoxycarbonylphenyl)acetyl]oxy]butoxy]ethyl]benzoate has a molecular weight of 5123.31 g/mol, XLogP of 38.51, 128 rotatable bonds, 1 hydrogen bond donors, and 97 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[(2,4-dimethoxybenzoyl)oxymethyl]butyl 2,4-dimethoxybenzoate;2,2-bis[(3,4-dimethoxybenzoyl)oxymethyl]butyl 3,4-dimethoxybenzoate;2,2-bis[(3,5-dimethoxybenzoyl)oxymethyl]butyl 3,5-dimethoxybenzoate;2,2-bis[(3-methoxybenzoyl)oxymethyl]butyl 3-methoxybenzoate;2,2-bis[(3,4,5-trimethoxybenzoyl)oxymethyl]butyl 2,3,4,5-tetramethoxybenzoate;[2-[(2,6-dimethoxybenzoyl)oxymethyl]-2-[(2-methoxybenzoyl)oxymethyl]butyl] 2,6-dimethoxybenzoate;[2-[[4-(hydroxymethyl)benzoyl]oxymethyl]-2-[(4-methoxybenzoyl)oxymethyl]butyl] 3-methoxybenzoate;methyl 2-[2-oxo-2-[2,3,4-tris[[2-(2-methoxycarbonylphenyl)acetyl]oxy]butoxy]ethyl]benzoate is sourced from PubChem (CID 159858937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).