[4-(3-acetyloxyphenyl)-2-[2,2-bis[(3-acetyloxybenzoyl)oxymethyl]butoxymethyl]-4-oxobutyl] 3-acetyloxybenzoate;2-O-[2-[2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]butoxymethyl]-2-ethyl-4-(2-methoxycarbonylphenyl)-4-oxobutyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-(hydroxymethyl)-3-(2-methoxycarbonylbenzoyl)oxy-2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5-tetrakis[(2-acetyloxybenzoyl)oxy]pentyl 2-acetyloxybenzoate

C199H190O74 — CID 161329331

About [4-(3-acetyloxyphenyl)-2-[2,2-bis[(3-acetyloxybenzoyl)oxymethyl]butoxymethyl]-4-oxobutyl] 3-acetyloxybenzoate;2-O-[2-[2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]butoxymethyl]-2-ethyl-4-(2-methoxycarbonylphenyl)-4-oxobutyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-(hydroxymethyl)-3-(2-methoxycarbonylbenzoyl)oxy-2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5-tetrakis[(2-acetyloxybenzoyl)oxy]pentyl 2-acetyloxybenzoate

[4-(3-acetyloxyphenyl)-2-[2,2-bis[(3-acetyloxybenzoyl)oxymethyl]butoxymethyl]-4-oxobutyl] 3-acetyloxybenzoate;2-O-[2-[2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]butoxymethyl]-2-ethyl-4-(2-methoxycarbonylphenyl)-4-oxobutyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-(hydroxymethyl)-3-(2-methoxycarbonylbenzoyl)oxy-2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5-tetrakis[(2-acetyloxybenzoyl)oxy]pentyl 2-acetyloxybenzoate (PubChem CID 161329331) has the molecular formula C199H190O74 and a molecular weight of 3765.63 g/mol. Its IUPAC name is [4-(3-acetyloxyphenyl)-2-[2,2-bis[(3-acetyloxybenzoyl)oxymethyl]butoxymethyl]-4-oxobutyl] 3-acetyloxybenzoate;2-O-[2-[2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]butoxymethyl]-2-ethyl-4-(2-methoxycarbonylphenyl)-4-oxobutyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-(hydroxymethyl)-3-(2-methoxycarbonylbenzoyl)oxy-2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5-tetrakis[(2-acetyloxybenzoyl)oxy]pentyl 2-acetyloxybenzoate.

Molecular Properties

• Compound Name: [4-(3-acetyloxyphenyl)-2-[2,2-bis[(3-acetyloxybenzoyl)oxymethyl]butoxymethyl]-4-oxobutyl] 3-acetyloxybenzoate;2-O-[2-[2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]butoxymethyl]-2-ethyl-4-(2-methoxycarbonylphenyl)-4-oxobutyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-(hydroxymethyl)-3-(2-methoxycarbonylbenzoyl)oxy-2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5-tetrakis[(2-acetyloxybenzoyl)oxy]pentyl 2-acetyloxybenzoate
• PubChem CID: 161329331
• Molecular Formula: C199H190O74
• Molecular Weight: 3765.63 g/mol
• Exact Mass: 3763.11
• IUPAC Name: [4-(3-acetyloxyphenyl)-2-[2,2-bis[(3-acetyloxybenzoyl)oxymethyl]butoxymethyl]-4-oxobutyl] 3-acetyloxybenzoate;2-O-[2-[2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]butoxymethyl]-2-ethyl-4-(2-methoxycarbonylphenyl)-4-oxobutyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-(hydroxymethyl)-3-(2-methoxycarbonylbenzoyl)oxy-2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5-tetrakis[(2-acetyloxybenzoyl)oxy]pentyl 2-acetyloxybenzoate
• SMILES: CC(=O)Oc1ccccc1C(=O)OCC(OC(=O)c1ccccc1OC(C)=O)C(OC(=O)c1ccccc1OC(C)=O)C(COC(=O)c1ccccc1OC(C)=O)OC(=O)c1ccccc1OC(C)=O.CCC(COCC(CC)(COC(=O)c1ccccc1C(=O)OC)CC(=O)c1ccccc1C(=O)OC)(COC(=O)c1ccccc1C(=O)OC)COC(=O)c1ccccc1C(=O)OC.CCC(COCC(COC(=O)c1cccc(OC(C)=O)c1)CC(=O)c1cccc(OC(C)=O)c1)(COC(=O)c1cccc(OC(C)=O)c1)COC(=O)c1cccc(OC(C)=O)c1.COC(=O)c1ccccc1C(=O)OCC(CO)(COCC(COC(=O)c1ccccc1C(=O)OC)(COC(=O)c1ccccc1C(=O)OC)COC(=O)c1ccccc1C(=O)OC)COC(=O)c1ccccc1C(=O)OC
• InChI: InChI=1S/C55H52O22.C50H42O20.C48H50O16.C46H46O16/c1-67-44(57)34-16-6-11-21-39(34)49(62)73-29-54(26-56,30-74-50(63)40-22-12-7-17-35(40)45(58)68-2)27-72-28-55(31-75-51(64)41-23-13-8-18-36(41)46(59)69-3,32-76-52(65)42-24-14-9-19-37(42)47(60)70-4)33-77-53(66)43-25-15-10-20-38(43)48(61)71-5;1-28(51)63-38-21-11-6-16-33(38)46(56)61-26-43(68-48(58)35-18-8-13-23-40(35)65-30(3)53)45(70-50(60)37-20-10-15-25-42(37)67-32(5)55)44(69-49(59)36-19-9-14-24-41(36)66-31(4)54)27-62-47(57)34-17-7-12-22-39(34)64-29(2)52;1-7-47(25-39(49)31-17-9-10-18-32(31)40(50)57-3,28-62-44(54)36-22-14-11-19-33(36)41(51)58-4)26-61-27-48(8-2,29-63-45(55)37-23-15-12-20-34(37)42(52)59-5)30-64-46(56)38-24-16-13-21-35(38)43(53)60-6;1-6-46(27-57-44(53)36-13-9-17-40(22-36)61-31(4)49,28-58-45(54)37-14-10-18-41(23-37)62-32(5)50)26-55-24-33(19-42(51)34-11-7-15-38(20-34)59-29(2)47)25-56-43(52)35-12-8-16-39(21-35)60-30(3)48/h6-25,56H,26-33H2,1-5H3;6-25,43-45H,26-27H2,1-5H3;9-24H,7-8,25-30H2,1-6H3;7-18,20-23,33H,6,19,24-28H2,1-5H3
• InChIKey: VLEZTBTYLOCWTB-UHFFFAOYSA-N
• XLogP: 24.54
• TPSA: 976.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 74
• Rotatable Bonds: 87
• Heavy Atoms: 273
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3765.63
LogP ≤ 5	24.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	74

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(3-acetyloxyphenyl)-2-[2,2-bis[(3-acetyloxybenzoyl)oxymethyl]butoxymethyl]-4-oxobutyl] 3-acetyloxybenzoate;2-O-[2-[2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]butoxymethyl]-2-ethyl-4-(2-methoxycarbonylphenyl)-4-oxobutyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-(hydroxymethyl)-3-(2-methoxycarbonylbenzoyl)oxy-2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5-tetrakis[(2-acetyloxybenzoyl)oxy]pentyl 2-acetyloxybenzoate?

The IUPAC name of [4-(3-acetyloxyphenyl)-2-[2,2-bis[(3-acetyloxybenzoyl)oxymethyl]butoxymethyl]-4-oxobutyl] 3-acetyloxybenzoate;2-O-[2-[2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]butoxymethyl]-2-ethyl-4-(2-methoxycarbonylphenyl)-4-oxobutyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-(hydroxymethyl)-3-(2-methoxycarbonylbenzoyl)oxy-2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5-tetrakis[(2-acetyloxybenzoyl)oxy]pentyl 2-acetyloxybenzoate (CID 161329331) is [4-(3-acetyloxyphenyl)-2-[2,2-bis[(3-acetyloxybenzoyl)oxymethyl]butoxymethyl]-4-oxobutyl] 3-acetyloxybenzoate;2-O-[2-[2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]butoxymethyl]-2-ethyl-4-(2-methoxycarbonylphenyl)-4-oxobutyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-(hydroxymethyl)-3-(2-methoxycarbonylbenzoyl)oxy-2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5-tetrakis[(2-acetyloxybenzoyl)oxy]pentyl 2-acetyloxybenzoate.

What is the SMILES notation for [4-(3-acetyloxyphenyl)-2-[2,2-bis[(3-acetyloxybenzoyl)oxymethyl]butoxymethyl]-4-oxobutyl] 3-acetyloxybenzoate;2-O-[2-[2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]butoxymethyl]-2-ethyl-4-(2-methoxycarbonylphenyl)-4-oxobutyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-(hydroxymethyl)-3-(2-methoxycarbonylbenzoyl)oxy-2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5-tetrakis[(2-acetyloxybenzoyl)oxy]pentyl 2-acetyloxybenzoate?

The canonical SMILES for [4-(3-acetyloxyphenyl)-2-[2,2-bis[(3-acetyloxybenzoyl)oxymethyl]butoxymethyl]-4-oxobutyl] 3-acetyloxybenzoate;2-O-[2-[2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]butoxymethyl]-2-ethyl-4-(2-methoxycarbonylphenyl)-4-oxobutyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-(hydroxymethyl)-3-(2-methoxycarbonylbenzoyl)oxy-2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5-tetrakis[(2-acetyloxybenzoyl)oxy]pentyl 2-acetyloxybenzoate is CC(=O)Oc1ccccc1C(=O)OCC(OC(=O)c1ccccc1OC(C)=O)C(OC(=O)c1ccccc1OC(C)=O)C(COC(=O)c1ccccc1OC(C)=O)OC(=O)c1ccccc1OC(C)=O.CCC(COCC(CC)(COC(=O)c1ccccc1C(=O)OC)CC(=O)c1ccccc1C(=O)OC)(COC(=O)c1ccccc1C(=O)OC)COC(=O)c1ccccc1C(=O)OC.CCC(COCC(COC(=O)c1cccc(OC(C)=O)c1)CC(=O)c1cccc(OC(C)=O)c1)(COC(=O)c1cccc(OC(C)=O)c1)COC(=O)c1cccc(OC(C)=O)c1.COC(=O)c1ccccc1C(=O)OCC(CO)(COCC(COC(=O)c1ccccc1C(=O)OC)(COC(=O)c1ccccc1C(=O)OC)COC(=O)c1ccccc1C(=O)OC)COC(=O)c1ccccc1C(=O)OC.

What is the InChIKey of [4-(3-acetyloxyphenyl)-2-[2,2-bis[(3-acetyloxybenzoyl)oxymethyl]butoxymethyl]-4-oxobutyl] 3-acetyloxybenzoate;2-O-[2-[2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]butoxymethyl]-2-ethyl-4-(2-methoxycarbonylphenyl)-4-oxobutyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-(hydroxymethyl)-3-(2-methoxycarbonylbenzoyl)oxy-2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5-tetrakis[(2-acetyloxybenzoyl)oxy]pentyl 2-acetyloxybenzoate?

The InChIKey is VLEZTBTYLOCWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H52O22.C50H42O20.C48H50O16.C46H46O16/c1-67-44(57)34-16-6-11-21-39(34)49(62)73-29-54(26-56,30-74-50(63)40-22-12-7-17-35(40)45(58)68-2)27-72-28-55(31-75-51(64)41-23-13-8-18-36(41)46(59)69-3,32-76-52(65)42-24-14-9-19-37(42)47(60)70-4)33-77-53(66)43-25-15-10-20-38(43)48(61)71-5;1-28(51)63-38-21-11-6-16-33(38)46(56)61-26-43(68-48(58)35-18-8-13-23-40(35)65-30(3)53)45(70-50(60)37-20-10-15-25-42(37)67-32(5)55)44(69-49(59)36-19-9-14-24-41(36)66-31(4)54)27-62-47(57)34-17-7-12-22-39(34)64-29(2)52;1-7-47(25-39(49)31-17-9-10-18-32(31)40(50)57-3,28-62-44(54)36-22-14-11-19-33(36)41(51)58-4)26-61-27-48(8-2,29-63-45(55)37-23-15-12-20-34(37)42(52)59-5)30-64-46(56)38-24-16-13-21-35(38)43(53)60-6;1-6-46(27-57-44(53)36-13-9-17-40(22-36)61-31(4)49,28-58-45(54)37-14-10-18-41(23-37)62-32(5)50)26-55-24-33(19-42(51)34-11-7-15-38(20-34)59-29(2)47)25-56-43(52)35-12-8-16-39(21-35)60-30(3)48/h6-25,56H,26-33H2,1-5H3;6-25,43-45H,26-27H2,1-5H3;9-24H,7-8,25-30H2,1-6H3;7-18,20-23,33H,6,19,24-28H2,1-5H3.

What are the key properties of [4-(3-acetyloxyphenyl)-2-[2,2-bis[(3-acetyloxybenzoyl)oxymethyl]butoxymethyl]-4-oxobutyl] 3-acetyloxybenzoate;2-O-[2-[2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]butoxymethyl]-2-ethyl-4-(2-methoxycarbonylphenyl)-4-oxobutyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-(hydroxymethyl)-3-(2-methoxycarbonylbenzoyl)oxy-2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5-tetrakis[(2-acetyloxybenzoyl)oxy]pentyl 2-acetyloxybenzoate?

[4-(3-acetyloxyphenyl)-2-[2,2-bis[(3-acetyloxybenzoyl)oxymethyl]butoxymethyl]-4-oxobutyl] 3-acetyloxybenzoate;2-O-[2-[2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]butoxymethyl]-2-ethyl-4-(2-methoxycarbonylphenyl)-4-oxobutyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-(hydroxymethyl)-3-(2-methoxycarbonylbenzoyl)oxy-2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5-tetrakis[(2-acetyloxybenzoyl)oxy]pentyl 2-acetyloxybenzoate has a molecular weight of 3765.63 g/mol, XLogP of 24.54, 87 rotatable bonds, 1 hydrogen bond donors, and 74 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(3-acetyloxyphenyl)-2-[2,2-bis[(3-acetyloxybenzoyl)oxymethyl]butoxymethyl]-4-oxobutyl] 3-acetyloxybenzoate;2-O-[2-[2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]butoxymethyl]-2-ethyl-4-(2-methoxycarbonylphenyl)-4-oxobutyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-(hydroxymethyl)-3-(2-methoxycarbonylbenzoyl)oxy-2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5-tetrakis[(2-acetyloxybenzoyl)oxy]pentyl 2-acetyloxybenzoate is sourced from PubChem (CID 161329331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).