10,11-bis[(E)-3-(2,5-dioxooxolan-3-yl)oct-4-enyl]icosanedioic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid;18-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]peroxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid

C270H414O66 — CID 160515179

IUPAC10,11-bis[(E)-3-(2,5-dioxooxolan-3-yl)oct-4-enyl]icosanedioic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid;18-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]peroxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid
SMILESCCC/C=C/C(CCC(CCCCCCCCC(=O)O)C(CCCCCCCCC(=O)O)CCC(/C=C/CCC)C1CC(=O)OC1=O)C1CC(=O)OC1=O.CCC/C=C/C(CCC(CCCCCCCCC(=O)O)C1C(C(C)C)C2CC3C4(C)CCCC(C)(C(=O)O)C4CCC13C1C(=O)OC(=O)C21)C1CC(=O)OC1=O.CCC/C=C/C(CCC(CCCCCCCCC(=O)O)OC(CCCCCCCCC(=O)O)CCC(/C=C/CCC)C1CC(=O)OC1=O)C1CC(=O)OC1=O.CCC/C=C/C(CCC(CCCCCCCCC(=O)O)OC1C(C(C)C)C2CC3C4(C)CCCC(C)(C(=O)O)C4CCC13C1C(=O)OC(=O)C21)C1CC(=O)OC1=O.CCC/C=C/C(CCC(CCCCCCCCC(=O)O)OOC(CCCCCCCCC(=O)O)CCC(/C=C/CCC)C1CC(=O)OC1=O)C1CC(=O)OC1=O.CCCC/C=C/C(CCC(CCCCCCCC(=O)O)OOC1C(C(C)C)C2CC3C4(C)CCCC(C)(C(=O)O)C4CCC13C1C(=O)OC(=O)C21)C1CC(=O)OC1=O
InChIInChI=1S/C46H68O12.C46H68O11.C46H68O10.C44H70O12.C44H70O11.C44H70O10/c1-6-7-8-12-16-28(30-26-35(49)55-40(30)50)19-20-29(17-13-10-9-11-14-18-34(47)48)57-58-39-36(27(2)3)31-25-33-44(4)22-15-23-45(5,43(53)54)32(44)21-24-46(33,39)38-37(31)41(51)56-42(38)52;1-6-7-12-16-28(30-26-35(49)56-40(30)50)19-20-29(17-13-10-8-9-11-14-18-34(47)48)55-39-36(27(2)3)31-25-33-44(4)22-15-23-45(5,43(53)54)32(44)21-24-46(33,39)38-37(31)41(51)57-42(38)52;1-6-7-12-16-28(30-26-35(49)55-40(30)50)19-20-29(17-13-10-8-9-11-14-18-34(47)48)38-36(27(2)3)31-25-33-44(4)22-15-23-45(5,43(53)54)32(44)21-24-46(33,38)39-37(31)41(51)56-42(39)52;1-3-5-15-21-33(37-31-41(49)53-43(37)51)27-29-35(23-17-11-7-9-13-19-25-39(45)46)55-56-36(24-18-12-8-10-14-20-26-40(47)48)30-28-34(22-16-6-4-2)38-32-42(50)54-44(38)52;1-3-5-15-21-33(37-31-41(49)54-43(37)51)27-29-35(23-17-11-7-9-13-19-25-39(45)46)53-36(24-18-12-8-10-14-20-26-40(47)48)30-28-34(22-16-6-4-2)38-32-42(50)55-44(38)52;1-3-5-15-23-35(37-31-41(49)53-43(37)51)29-27-33(21-17-11-7-9-13-19-25-39(45)46)34(22-18-12-8-10-14-20-26-40(47)48)28-30-36(24-16-6-4-2)38-32-42(50)54-44(38)52/h12,16,27-33,36-39H,6-11,13-15,17-26H2,1-5H3,(H,47,48)(H,53,54);12,16,27-33,36-39H,6-11,13-15,17-26H2,1-5H3,(H,47,48)(H,53,54);12,16,27-33,36-39H,6-11,13-15,17-26H2,1-5H3,(H,47,48)(H,53,54);15-16,21-22,33-38H,3-14,17-20,23-32H2,1-2H3,(H,45,46)(H,47,48);15-16,21-22,33-38H,3-14,17-20,23-32H2,1-2H3,(H,45,46)(H,47,48);15-16,23-24,33-38H,3-14,17-22,25-32H2,1-2H3,(H,45,46)(H,47,48)/b3*16-12+;2*21-15+,22-16+;23-15+,24-16+
InChIKeyQTODKAJBIJALQZ-NJHDZHDGSA-N
MW4716.22 g/mol
LogP56.44
Rot. Bonds162

About 10,11-bis[(E)-3-(2,5-dioxooxolan-3-yl)oct-4-enyl]icosanedioic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid;18-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]peroxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid

10,11-bis[(E)-3-(2,5-dioxooxolan-3-yl)oct-4-enyl]icosanedioic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid;18-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]peroxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid (PubChem CID 160515179) has the molecular formula C270H414O66 and a molecular weight of 4716.22 g/mol. Its IUPAC name is 10,11-bis[(E)-3-(2,5-dioxooxolan-3-yl)oct-4-enyl]icosanedioic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid;18-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]peroxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid.

Molecular Properties

Compound Name10,11-bis[(E)-3-(2,5-dioxooxolan-3-yl)oct-4-enyl]icosanedioic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid;18-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]peroxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid
PubChem CID160515179
Molecular FormulaC270H414O66
Molecular Weight4716.22 g/mol
Exact Mass4712.90
IUPAC Name10,11-bis[(E)-3-(2,5-dioxooxolan-3-yl)oct-4-enyl]icosanedioic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid;18-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]peroxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid
SMILESCCC/C=C/C(CCC(CCCCCCCCC(=O)O)C(CCCCCCCCC(=O)O)CCC(/C=C/CCC)C1CC(=O)OC1=O)C1CC(=O)OC1=O.CCC/C=C/C(CCC(CCCCCCCCC(=O)O)C1C(C(C)C)C2CC3C4(C)CCCC(C)(C(=O)O)C4CCC13C1C(=O)OC(=O)C21)C1CC(=O)OC1=O.CCC/C=C/C(CCC(CCCCCCCCC(=O)O)OC(CCCCCCCCC(=O)O)CCC(/C=C/CCC)C1CC(=O)OC1=O)C1CC(=O)OC1=O.CCC/C=C/C(CCC(CCCCCCCCC(=O)O)OC1C(C(C)C)C2CC3C4(C)CCCC(C)(C(=O)O)C4CCC13C1C(=O)OC(=O)C21)C1CC(=O)OC1=O.CCC/C=C/C(CCC(CCCCCCCCC(=O)O)OOC(CCCCCCCCC(=O)O)CCC(/C=C/CCC)C1CC(=O)OC1=O)C1CC(=O)OC1=O.CCCC/C=C/C(CCC(CCCCCCCC(=O)O)OOC1C(C(C)C)C2CC3C4(C)CCCC(C)(C(=O)O)C4CCC13C1C(=O)OC(=O)C21)C1CC(=O)OC1=O
InChIInChI=1S/C46H68O12.C46H68O11.C46H68O10.C44H70O12.C44H70O11.C44H70O10/c1-6-7-8-12-16-28(30-26-35(49)55-40(30)50)19-20-29(17-13-10-9-11-14-18-34(47)48)57-58-39-36(27(2)3)31-25-33-44(4)22-15-23-45(5,43(53)54)32(44)21-24-46(33,39)38-37(31)41(51)56-42(38)52;1-6-7-12-16-28(30-26-35(49)56-40(30)50)19-20-29(17-13-10-8-9-11-14-18-34(47)48)55-39-36(27(2)3)31-25-33-44(4)22-15-23-45(5,43(53)54)32(44)21-24-46(33,39)38-37(31)41(51)57-42(38)52;1-6-7-12-16-28(30-26-35(49)55-40(30)50)19-20-29(17-13-10-8-9-11-14-18-34(47)48)38-36(27(2)3)31-25-33-44(4)22-15-23-45(5,43(53)54)32(44)21-24-46(33,38)39-37(31)41(51)56-42(39)52;1-3-5-15-21-33(37-31-41(49)53-43(37)51)27-29-35(23-17-11-7-9-13-19-25-39(45)46)55-56-36(24-18-12-8-10-14-20-26-40(47)48)30-28-34(22-16-6-4-2)38-32-42(50)54-44(38)52;1-3-5-15-21-33(37-31-41(49)54-43(37)51)27-29-35(23-17-11-7-9-13-19-25-39(45)46)53-36(24-18-12-8-10-14-20-26-40(47)48)30-28-34(22-16-6-4-2)38-32-42(50)55-44(38)52;1-3-5-15-23-35(37-31-41(49)53-43(37)51)29-27-33(21-17-11-7-9-13-19-25-39(45)46)34(22-18-12-8-10-14-20-26-40(47)48)28-30-36(24-16-6-4-2)38-32-42(50)54-44(38)52/h12,16,27-33,36-39H,6-11,13-15,17-26H2,1-5H3,(H,47,48)(H,53,54);12,16,27-33,36-39H,6-11,13-15,17-26H2,1-5H3,(H,47,48)(H,53,54);12,16,27-33,36-39H,6-11,13-15,17-26H2,1-5H3,(H,47,48)(H,53,54);15-16,21-22,33-38H,3-14,17-20,23-32H2,1-2H3,(H,45,46)(H,47,48);15-16,21-22,33-38H,3-14,17-20,23-32H2,1-2H3,(H,45,46)(H,47,48);15-16,23-24,33-38H,3-14,17-22,25-32H2,1-2H3,(H,45,46)(H,47,48)/b3*16-12+;2*21-15+,22-16+;23-15+,24-16+
InChIKeyQTODKAJBIJALQZ-NJHDZHDGSA-N
XLogP56.44
TPSA1023.42 Ų
H-Bond Donors12
H-Bond Acceptors54
Rotatable Bonds162
Heavy Atoms336
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004716.22
LogP ≤ 556.44
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1054

Analyze 10,11-bis[(E)-3-(2,5-dioxooxolan-3-yl)oct-4-enyl]icosanedioic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid;18-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]peroxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid with MolForge

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Launch Full Analysis

Related Compounds

18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]peroxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid
CID 159265511
(E)-9-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-12-(2,5-dioxooxolan-3-yl)octadec-13-enoic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid
CID 158422565
18-[[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]peroxymethyl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid
CID 87092150
18-[17-carboxy-10-(2,5-dioxooxolan-3-yl)heptadec-6-en-8-yl]peroxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid
CID 72559724
18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]-5,9-dimethyl-14,16-dioxo-20-propan-2-yl-15-oxapentacyclo[10.5.3.01,10.04,9.013,17]icosane-5-carboxylic acid
CID 138642643
9-(2,5-dioxooxolan-3-yl)octadec-10-enoic acid
CID 72559719
9-(2,5-dioxooxolan-3-yl)-11-octadec-12-en-9-ylperoxyoctadec-12-enoic acid
CID 91219426
11-(1-carboxyheptadec-11-en-8-ylperoxy)-9-(2,5-dioxooxolan-3-yl)octadec-12-enoic acid
CID 72526188
(E)-11-[(E)-10-(2,5-dioxooxolan-3-yl)octadec-6-en-8-yl]peroxyoctadec-12-enoic acid
CID 59779248
3-[(7E,9Z)-18-cyclobutyl-18-oxooctadeca-7,9-dien-6-yl]oxolane-2,5-dione
CID 176945788
bis(2-aminoethyl hydrogen sulfate);(Z)-5-(2,5-dioxooxolan-3-yl)undec-6-enoic acid;4-(1,3-dioxo-7-propyl-3a,4,7,7a-tetrahydro-2-benzofuran-4-yl)butanoic acid;4-[1,3-dioxo-7-propyl-2-(2-sulfooxyethyl)-3a,4,7,7a-tetrahydroisoindol-4-yl]butanoic acid;(Z)-5-[2,5-dioxo-1-(2-sulfooxyethyl)pyrrolidin-3-yl]undec-6-enoic acid
CID 159817096
3-[(7E,9Z)-18-cyclopropyl-18-oxooctadeca-7,9-dien-6-yl]oxolane-2,5-dione
CID 176945760

Frequently Asked Questions

What is the IUPAC name of 10,11-bis[(E)-3-(2,5-dioxooxolan-3-yl)oct-4-enyl]icosanedioic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid;18-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]peroxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid?
The IUPAC name of 10,11-bis[(E)-3-(2,5-dioxooxolan-3-yl)oct-4-enyl]icosanedioic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid;18-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]peroxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid (CID 160515179) is 10,11-bis[(E)-3-(2,5-dioxooxolan-3-yl)oct-4-enyl]icosanedioic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid;18-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]peroxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid.
What is the SMILES notation for 10,11-bis[(E)-3-(2,5-dioxooxolan-3-yl)oct-4-enyl]icosanedioic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid;18-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]peroxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid?
The canonical SMILES for 10,11-bis[(E)-3-(2,5-dioxooxolan-3-yl)oct-4-enyl]icosanedioic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid;18-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]peroxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid is CCC/C=C/C(CCC(CCCCCCCCC(=O)O)C(CCCCCCCCC(=O)O)CCC(/C=C/CCC)C1CC(=O)OC1=O)C1CC(=O)OC1=O.CCC/C=C/C(CCC(CCCCCCCCC(=O)O)C1C(C(C)C)C2CC3C4(C)CCCC(C)(C(=O)O)C4CCC13C1C(=O)OC(=O)C21)C1CC(=O)OC1=O.CCC/C=C/C(CCC(CCCCCCCCC(=O)O)OC(CCCCCCCCC(=O)O)CCC(/C=C/CCC)C1CC(=O)OC1=O)C1CC(=O)OC1=O.CCC/C=C/C(CCC(CCCCCCCCC(=O)O)OC1C(C(C)C)C2CC3C4(C)CCCC(C)(C(=O)O)C4CCC13C1C(=O)OC(=O)C21)C1CC(=O)OC1=O.CCC/C=C/C(CCC(CCCCCCCCC(=O)O)OOC(CCCCCCCCC(=O)O)CCC(/C=C/CCC)C1CC(=O)OC1=O)C1CC(=O)OC1=O.CCCC/C=C/C(CCC(CCCCCCCC(=O)O)OOC1C(C(C)C)C2CC3C4(C)CCCC(C)(C(=O)O)C4CCC13C1C(=O)OC(=O)C21)C1CC(=O)OC1=O.
What is the InChIKey of 10,11-bis[(E)-3-(2,5-dioxooxolan-3-yl)oct-4-enyl]icosanedioic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid;18-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]peroxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid?
The InChIKey is QTODKAJBIJALQZ-NJHDZHDGSA-N. The full InChI is InChI=1S/C46H68O12.C46H68O11.C46H68O10.C44H70O12.C44H70O11.C44H70O10/c1-6-7-8-12-16-28(30-26-35(49)55-40(30)50)19-20-29(17-13-10-9-11-14-18-34(47)48)57-58-39-36(27(2)3)31-25-33-44(4)22-15-23-45(5,43(53)54)32(44)21-24-46(33,39)38-37(31)41(51)56-42(38)52;1-6-7-12-16-28(30-26-35(49)56-40(30)50)19-20-29(17-13-10-8-9-11-14-18-34(47)48)55-39-36(27(2)3)31-25-33-44(4)22-15-23-45(5,43(53)54)32(44)21-24-46(33,39)38-37(31)41(51)57-42(38)52;1-6-7-12-16-28(30-26-35(49)55-40(30)50)19-20-29(17-13-10-8-9-11-14-18-34(47)48)38-36(27(2)3)31-25-33-44(4)22-15-23-45(5,43(53)54)32(44)21-24-46(33,38)39-37(31)41(51)56-42(39)52;1-3-5-15-21-33(37-31-41(49)53-43(37)51)27-29-35(23-17-11-7-9-13-19-25-39(45)46)55-56-36(24-18-12-8-10-14-20-26-40(47)48)30-28-34(22-16-6-4-2)38-32-42(50)54-44(38)52;1-3-5-15-21-33(37-31-41(49)54-43(37)51)27-29-35(23-17-11-7-9-13-19-25-39(45)46)53-36(24-18-12-8-10-14-20-26-40(47)48)30-28-34(22-16-6-4-2)38-32-42(50)55-44(38)52;1-3-5-15-23-35(37-31-41(49)53-43(37)51)29-27-33(21-17-11-7-9-13-19-25-39(45)46)34(22-18-12-8-10-14-20-26-40(47)48)28-30-36(24-16-6-4-2)38-32-42(50)54-44(38)52/h12,16,27-33,36-39H,6-11,13-15,17-26H2,1-5H3,(H,47,48)(H,53,54);12,16,27-33,36-39H,6-11,13-15,17-26H2,1-5H3,(H,47,48)(H,53,54);12,16,27-33,36-39H,6-11,13-15,17-26H2,1-5H3,(H,47,48)(H,53,54);15-16,21-22,33-38H,3-14,17-20,23-32H2,1-2H3,(H,45,46)(H,47,48);15-16,21-22,33-38H,3-14,17-20,23-32H2,1-2H3,(H,45,46)(H,47,48);15-16,23-24,33-38H,3-14,17-22,25-32H2,1-2H3,(H,45,46)(H,47,48)/b3*16-12+;2*21-15+,22-16+;23-15+,24-16+.
What are the key properties of 10,11-bis[(E)-3-(2,5-dioxooxolan-3-yl)oct-4-enyl]icosanedioic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid;18-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]peroxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid?
10,11-bis[(E)-3-(2,5-dioxooxolan-3-yl)oct-4-enyl]icosanedioic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid;18-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]peroxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid has a molecular weight of 4716.22 g/mol, XLogP of 56.44, 162 rotatable bonds, 12 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11-bis[(E)-3-(2,5-dioxooxolan-3-yl)oct-4-enyl]icosanedioic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid;18-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]peroxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid is sourced from PubChem (CID 160515179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).