5-bromopentanoic acid;1-O-[1,3-di(hexadecanoyloxy)propan-2-yl] 7-O-[5-[[6-methoxy-5-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-5-oxopentyl] 2,3,5,6-tetramethylheptanedioate;7-[1,3-di(hexadecanoyloxy)propan-2-yloxy]-2,3,5,6-tetramethyl-7-oxoheptanoic acid;methyl (E)-6-[4-(5-bromopentanoyloxy)-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate;methyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate

C161H260Br2O38 — CID 161151444

IUPAC5-bromopentanoic acid;1-O-[1,3-di(hexadecanoyloxy)propan-2-yl] 7-O-[5-[[6-methoxy-5-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-5-oxopentyl] 2,3,5,6-tetramethylheptanedioate;7-[1,3-di(hexadecanoyloxy)propan-2-yloxy]-2,3,5,6-tetramethyl-7-oxoheptanoic acid;methyl (E)-6-[4-(5-bromopentanoyloxy)-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate;methyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
SMILESCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)C(C)C(C)CC(C)C(C)C(=O)O.CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)C(C)C(C)CC(C)C(C)C(=O)OCCCCC(=O)Oc1c(C/C=C(\C)CCC(=O)OC)c(OC)c(C)c2c1C(=O)OC2.COC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O.COC(=O)CC/C(C)=C/Cc1c(OC)c(C)c2c(c1OC(=O)CCCCBr)C(=O)OC2.O=C(O)CCCCBr
InChIInChI=1S/C69H114O15.C46H86O8.C23H29BrO7.C18H22O6.C5H9BrO2/c1-11-13-15-17-19-21-23-25-27-29-31-33-35-39-61(71)80-48-57(49-81-62(72)40-36-34-32-30-28-26-24-22-20-18-16-14-12-2)83-68(75)55(7)53(5)47-52(4)54(6)67(74)79-46-38-37-41-63(73)84-66-58(44-42-51(3)43-45-60(70)77-9)65(78-10)56(8)59-50-82-69(76)64(59)66;1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(47)52-36-42(54-46(51)41(6)39(4)35-38(3)40(5)45(49)50)37-53-44(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;1-14(9-11-18(25)28-3)8-10-16-21(29-4)15(2)17-13-30-23(27)20(17)22(16)31-19(26)7-5-6-12-24;1-10(6-8-14(19)22-3)5-7-12-16(20)15-13(9-24-18(15)21)11(2)17(12)23-4;6-4-2-1-3-5(7)8/h42,52-55,57H,11-41,43-50H2,1-10H3;38-42H,7-37H2,1-6H3,(H,49,50);8H,5-7,9-13H2,1-4H3;5,20H,6-9H2,1-4H3;1-4H2,(H,7,8)/b51-42+;;14-8+;10-5+;
InChIKeyUOSPTYLYIWZXCJ-AGZRZSJHSA-N
MW2963.62 g/mol
LogP38.64
Rot. Bonds111

About 5-bromopentanoic acid;1-O-[1,3-di(hexadecanoyloxy)propan-2-yl] 7-O-[5-[[6-methoxy-5-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-5-oxopentyl] 2,3,5,6-tetramethylheptanedioate;7-[1,3-di(hexadecanoyloxy)propan-2-yloxy]-2,3,5,6-tetramethyl-7-oxoheptanoic acid;methyl (E)-6-[4-(5-bromopentanoyloxy)-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate;methyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate

5-bromopentanoic acid;1-O-[1,3-di(hexadecanoyloxy)propan-2-yl] 7-O-[5-[[6-methoxy-5-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-5-oxopentyl] 2,3,5,6-tetramethylheptanedioate;7-[1,3-di(hexadecanoyloxy)propan-2-yloxy]-2,3,5,6-tetramethyl-7-oxoheptanoic acid;methyl (E)-6-[4-(5-bromopentanoyloxy)-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate;methyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate (PubChem CID 161151444) has the molecular formula C161H260Br2O38 and a molecular weight of 2963.62 g/mol. Its IUPAC name is 5-bromopentanoic acid;1-O-[1,3-di(hexadecanoyloxy)propan-2-yl] 7-O-[5-[[6-methoxy-5-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-5-oxopentyl] 2,3,5,6-tetramethylheptanedioate;7-[1,3-di(hexadecanoyloxy)propan-2-yloxy]-2,3,5,6-tetramethyl-7-oxoheptanoic acid;methyl (E)-6-[4-(5-bromopentanoyloxy)-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate;methyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate.

Molecular Properties

Compound Name5-bromopentanoic acid;1-O-[1,3-di(hexadecanoyloxy)propan-2-yl] 7-O-[5-[[6-methoxy-5-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-5-oxopentyl] 2,3,5,6-tetramethylheptanedioate;7-[1,3-di(hexadecanoyloxy)propan-2-yloxy]-2,3,5,6-tetramethyl-7-oxoheptanoic acid;methyl (E)-6-[4-(5-bromopentanoyloxy)-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate;methyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
PubChem CID161151444
Molecular FormulaC161H260Br2O38
Molecular Weight2963.62 g/mol
Exact Mass2959.68
IUPAC Name5-bromopentanoic acid;1-O-[1,3-di(hexadecanoyloxy)propan-2-yl] 7-O-[5-[[6-methoxy-5-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-5-oxopentyl] 2,3,5,6-tetramethylheptanedioate;7-[1,3-di(hexadecanoyloxy)propan-2-yloxy]-2,3,5,6-tetramethyl-7-oxoheptanoic acid;methyl (E)-6-[4-(5-bromopentanoyloxy)-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate;methyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
SMILESCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)C(C)C(C)CC(C)C(C)C(=O)O.CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)C(C)C(C)CC(C)C(C)C(=O)OCCCCC(=O)Oc1c(C/C=C(\C)CCC(=O)OC)c(OC)c(C)c2c1C(=O)OC2.COC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O.COC(=O)CC/C(C)=C/Cc1c(OC)c(C)c2c(c1OC(=O)CCCCBr)C(=O)OC2.O=C(O)CCCCBr
InChIInChI=1S/C69H114O15.C46H86O8.C23H29BrO7.C18H22O6.C5H9BrO2/c1-11-13-15-17-19-21-23-25-27-29-31-33-35-39-61(71)80-48-57(49-81-62(72)40-36-34-32-30-28-26-24-22-20-18-16-14-12-2)83-68(75)55(7)53(5)47-52(4)54(6)67(74)79-46-38-37-41-63(73)84-66-58(44-42-51(3)43-45-60(70)77-9)65(78-10)56(8)59-50-82-69(76)64(59)66;1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(47)52-36-42(54-46(51)41(6)39(4)35-38(3)40(5)45(49)50)37-53-44(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;1-14(9-11-18(25)28-3)8-10-16-21(29-4)15(2)17-13-30-23(27)20(17)22(16)31-19(26)7-5-6-12-24;1-10(6-8-14(19)22-3)5-7-12-16(20)15-13(9-24-18(15)21)11(2)17(12)23-4;6-4-2-1-3-5(7)8/h42,52-55,57H,11-41,43-50H2,1-10H3;38-42H,7-37H2,1-6H3,(H,49,50);8H,5-7,9-13H2,1-4H3;5,20H,6-9H2,1-4H3;1-4H2,(H,7,8)/b51-42+;;14-8+;10-5+;
InChIKeyUOSPTYLYIWZXCJ-AGZRZSJHSA-N
XLogP38.64
TPSA517.02 Ų
H-Bond Donors3
H-Bond Acceptors36
Rotatable Bonds111
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002963.62
LogP ≤ 538.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 5-bromopentanoic acid;1-O-[1,3-di(hexadecanoyloxy)propan-2-yl] 7-O-[5-[[6-methoxy-5-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-5-oxopentyl] 2,3,5,6-tetramethylheptanedioate;7-[1,3-di(hexadecanoyloxy)propan-2-yloxy]-2,3,5,6-tetramethyl-7-oxoheptanoic acid;methyl (E)-6-[4-(5-bromopentanoyloxy)-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate;methyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate with MolForge

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Launch Full Analysis

Related Compounds

1-O-[1,3-di(hexadecanoyloxy)propan-2-yl] 10-O-[6-methoxy-5-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-7-methyl-3-oxo-1H-2-benzofuran-4-yl] 2,9-dimethyldecanedioate
CID 155653115
[3-hexadecanoyloxy-2-[[(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]oxymethoxy]propyl] hexadecanoate
CID 155653079
4-O-[1,3-di(hexadecanoyloxy)propan-2-yl] 1-O-[4-[[6-methoxy-7-methyl-5-[(E)-3-methyl-6-(2-morpholin-4-ylethoxy)-6-oxohex-2-enyl]-3-oxo-1H-2-benzofuran-4-yl]oxy]-4-oxobutyl] butanedioate
CID 155653170
(3-hexadecanoyloxy-2-hydroxypropyl) hexadecanoate;[6-methoxy-5-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-7-methyl-3-oxo-1H-2-benzofuran-4-yl] 5-methyl-7-oxooctanoate
CID 163521220
1-O-[1,3-di(hexadecanoyloxy)propan-2-yl] 12-O-[1-[[6-methoxy-5-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]ethyl] 3,10-dimethyldodecanedioate
CID 155653207
(E)-6-[6-methoxy-4-(5-methoxy-5-oxopentanoyl)oxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid
CID 67854300
(E)-6-(6-methoxy-7-methyl-3-oxo-4-pentoxy-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
CID 67934081
4-O-[1,3-di(hexadecanoyloxy)propan-2-yl] 1-O-[[6-methoxy-7-methyl-5-[(E)-3-methyl-6-(2-morpholin-4-ylethoxy)-6-oxohex-2-enyl]-3-oxo-1H-2-benzofuran-4-yl]oxymethyl] butanedioate
CID 155653169
4-O-[1,3-di(hexadecanoyloxy)propan-2-yl] 1-O-[[6-methoxy-7-methyl-5-[(E)-3-methyl-6-(2-morpholin-4-ylethoxy)-6-oxohex-2-enyl]-3-oxo-1H-2-benzofuran-4-yl]oxycarbonyloxymethyl] butanedioate
CID 155653139
4-[[6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]amino]butanoic acid
CID 139590660
[6-methoxy-7-methyl-5-[(E)-3-methyl-6-oxohept-2-enyl]-3-oxo-1H-2-benzofuran-4-yl] 5-butanoyloxy-2-methylpentanoate
CID 142611288
12-O-(1,3-dicarboxyoxypropan-2-yl) 1-O-[[6-methoxy-5-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxycarbonyloxymethyl] 2,10-dimethyldodecanedioate
CID 167063507

Frequently Asked Questions

What is the IUPAC name of 5-bromopentanoic acid;1-O-[1,3-di(hexadecanoyloxy)propan-2-yl] 7-O-[5-[[6-methoxy-5-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-5-oxopentyl] 2,3,5,6-tetramethylheptanedioate;7-[1,3-di(hexadecanoyloxy)propan-2-yloxy]-2,3,5,6-tetramethyl-7-oxoheptanoic acid;methyl (E)-6-[4-(5-bromopentanoyloxy)-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate;methyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate?
The IUPAC name of 5-bromopentanoic acid;1-O-[1,3-di(hexadecanoyloxy)propan-2-yl] 7-O-[5-[[6-methoxy-5-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-5-oxopentyl] 2,3,5,6-tetramethylheptanedioate;7-[1,3-di(hexadecanoyloxy)propan-2-yloxy]-2,3,5,6-tetramethyl-7-oxoheptanoic acid;methyl (E)-6-[4-(5-bromopentanoyloxy)-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate;methyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate (CID 161151444) is 5-bromopentanoic acid;1-O-[1,3-di(hexadecanoyloxy)propan-2-yl] 7-O-[5-[[6-methoxy-5-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-5-oxopentyl] 2,3,5,6-tetramethylheptanedioate;7-[1,3-di(hexadecanoyloxy)propan-2-yloxy]-2,3,5,6-tetramethyl-7-oxoheptanoic acid;methyl (E)-6-[4-(5-bromopentanoyloxy)-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate;methyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate.
What is the SMILES notation for 5-bromopentanoic acid;1-O-[1,3-di(hexadecanoyloxy)propan-2-yl] 7-O-[5-[[6-methoxy-5-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-5-oxopentyl] 2,3,5,6-tetramethylheptanedioate;7-[1,3-di(hexadecanoyloxy)propan-2-yloxy]-2,3,5,6-tetramethyl-7-oxoheptanoic acid;methyl (E)-6-[4-(5-bromopentanoyloxy)-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate;methyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate?
The canonical SMILES for 5-bromopentanoic acid;1-O-[1,3-di(hexadecanoyloxy)propan-2-yl] 7-O-[5-[[6-methoxy-5-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-5-oxopentyl] 2,3,5,6-tetramethylheptanedioate;7-[1,3-di(hexadecanoyloxy)propan-2-yloxy]-2,3,5,6-tetramethyl-7-oxoheptanoic acid;methyl (E)-6-[4-(5-bromopentanoyloxy)-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate;methyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate is CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)C(C)C(C)CC(C)C(C)C(=O)O.CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)C(C)C(C)CC(C)C(C)C(=O)OCCCCC(=O)Oc1c(C/C=C(\C)CCC(=O)OC)c(OC)c(C)c2c1C(=O)OC2.COC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O.COC(=O)CC/C(C)=C/Cc1c(OC)c(C)c2c(c1OC(=O)CCCCBr)C(=O)OC2.O=C(O)CCCCBr.
What is the InChIKey of 5-bromopentanoic acid;1-O-[1,3-di(hexadecanoyloxy)propan-2-yl] 7-O-[5-[[6-methoxy-5-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-5-oxopentyl] 2,3,5,6-tetramethylheptanedioate;7-[1,3-di(hexadecanoyloxy)propan-2-yloxy]-2,3,5,6-tetramethyl-7-oxoheptanoic acid;methyl (E)-6-[4-(5-bromopentanoyloxy)-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate;methyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate?
The InChIKey is UOSPTYLYIWZXCJ-AGZRZSJHSA-N. The full InChI is InChI=1S/C69H114O15.C46H86O8.C23H29BrO7.C18H22O6.C5H9BrO2/c1-11-13-15-17-19-21-23-25-27-29-31-33-35-39-61(71)80-48-57(49-81-62(72)40-36-34-32-30-28-26-24-22-20-18-16-14-12-2)83-68(75)55(7)53(5)47-52(4)54(6)67(74)79-46-38-37-41-63(73)84-66-58(44-42-51(3)43-45-60(70)77-9)65(78-10)56(8)59-50-82-69(76)64(59)66;1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(47)52-36-42(54-46(51)41(6)39(4)35-38(3)40(5)45(49)50)37-53-44(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;1-14(9-11-18(25)28-3)8-10-16-21(29-4)15(2)17-13-30-23(27)20(17)22(16)31-19(26)7-5-6-12-24;1-10(6-8-14(19)22-3)5-7-12-16(20)15-13(9-24-18(15)21)11(2)17(12)23-4;6-4-2-1-3-5(7)8/h42,52-55,57H,11-41,43-50H2,1-10H3;38-42H,7-37H2,1-6H3,(H,49,50);8H,5-7,9-13H2,1-4H3;5,20H,6-9H2,1-4H3;1-4H2,(H,7,8)/b51-42+;;14-8+;10-5+;.
What are the key properties of 5-bromopentanoic acid;1-O-[1,3-di(hexadecanoyloxy)propan-2-yl] 7-O-[5-[[6-methoxy-5-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-5-oxopentyl] 2,3,5,6-tetramethylheptanedioate;7-[1,3-di(hexadecanoyloxy)propan-2-yloxy]-2,3,5,6-tetramethyl-7-oxoheptanoic acid;methyl (E)-6-[4-(5-bromopentanoyloxy)-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate;methyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate?
5-bromopentanoic acid;1-O-[1,3-di(hexadecanoyloxy)propan-2-yl] 7-O-[5-[[6-methoxy-5-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-5-oxopentyl] 2,3,5,6-tetramethylheptanedioate;7-[1,3-di(hexadecanoyloxy)propan-2-yloxy]-2,3,5,6-tetramethyl-7-oxoheptanoic acid;methyl (E)-6-[4-(5-bromopentanoyloxy)-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate;methyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate has a molecular weight of 2963.62 g/mol, XLogP of 38.64, 111 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopentanoic acid;1-O-[1,3-di(hexadecanoyloxy)propan-2-yl] 7-O-[5-[[6-methoxy-5-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-5-oxopentyl] 2,3,5,6-tetramethylheptanedioate;7-[1,3-di(hexadecanoyloxy)propan-2-yloxy]-2,3,5,6-tetramethyl-7-oxoheptanoic acid;methyl (E)-6-[4-(5-bromopentanoyloxy)-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate;methyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate is sourced from PubChem (CID 161151444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).