bis(2-ethylbutyl) (6Z,25Z)-16-[4-(diethylamino)butanoyloxy]hentriaconta-6,25-dienedioate;bis(2-ethylbutyl) (6Z,25Z)-16-(4-piperidin-1-ylbutanoyloxy)hentriaconta-6,25-dienedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-(diethylamino)propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[di(propan-2-yl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[ethyl(methyl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-(3-piperidin-1-ylpropoxy)henicosanedioate

C297H572N6O32 — CID 164971628

IUPACbis(2-ethylbutyl) (6Z,25Z)-16-[4-(diethylamino)butanoyloxy]hentriaconta-6,25-dienedioate;bis(2-ethylbutyl) (6Z,25Z)-16-(4-piperidin-1-ylbutanoyloxy)hentriaconta-6,25-dienedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-(diethylamino)propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[di(propan-2-yl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[ethyl(methyl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-(3-piperidin-1-ylpropoxy)henicosanedioate
SMILESCC(C)CCC(COC(=O)CCCCCCCCCC(CCCCCCCCCC(=O)OCC(CCC(C)C)C(C)C)OCCCN(C(C)C)C(C)C)C(C)C.CC(C)CCC(COC(=O)CCCCCCCCCC(CCCCCCCCCC(=O)OCC(CCC(C)C)C(C)C)OCCCN1CCCCC1)C(C)C.CCC(CC)COC(=O)CCCC/C=C\CCCCCCCCC(CCCCCCCC/C=C\CCCCC(=O)OCC(CC)CC)OC(=O)CCCN(CC)CC.CCC(CC)COC(=O)CCCC/C=C\CCCCCCCCC(CCCCCCCC/C=C\CCCCC(=O)OCC(CC)CC)OC(=O)CCCN1CCCCC1.CCN(C)CCCOC(CCCCCCCCCC(=O)OCC(CCC(C)C)C(C)C)CCCCCCCCCC(=O)OCC(CCC(C)C)C(C)C.CCN(CC)CCCOC(CCCCCCCCCC(=O)OCC(CCC(C)C)C(C)C)CCCCCCCCCC(=O)OCC(CCC(C)C)C(C)C
InChIInChI=1S/C52H95NO6.C51H95NO6.C50H99NO5.C49H95NO5.C48H95NO5.C47H93NO5/c1-5-47(6-2)45-57-50(54)39-32-27-23-19-15-11-9-13-17-21-25-30-37-49(59-52(56)41-36-44-53-42-34-29-35-43-53)38-31-26-22-18-14-10-12-16-20-24-28-33-40-51(55)58-46-48(7-3)8-4;1-7-46(8-2)44-56-49(53)40-35-31-27-23-19-15-13-17-21-25-29-33-38-48(58-51(55)42-37-43-52(11-5)12-6)39-34-30-26-22-18-14-16-20-24-28-32-36-41-50(54)57-45-47(9-3)10-4;1-40(2)32-34-46(42(5)6)38-55-49(52)30-25-21-17-13-15-19-23-28-48(54-37-27-36-51(44(9)10)45(11)12)29-24-20-16-14-18-22-26-31-50(53)56-39-47(43(7)8)35-33-41(3)4;1-41(2)31-33-45(43(5)6)39-54-48(51)29-22-17-13-9-11-15-20-27-47(53-38-26-37-50-35-24-19-25-36-50)28-21-16-12-10-14-18-23-30-49(52)55-40-46(44(7)8)34-32-42(3)4;1-11-49(12-2)36-27-37-52-46(28-23-19-15-13-17-21-25-30-47(50)53-38-44(42(7)8)34-32-40(3)4)29-24-20-16-14-18-22-26-31-48(51)54-39-45(43(9)10)35-33-41(5)6;1-11-48(10)35-26-36-51-45(27-22-18-14-12-16-20-24-29-46(49)52-37-43(41(6)7)33-31-39(2)3)28-23-19-15-13-17-21-25-30-47(50)53-38-44(42(8)9)34-32-40(4)5/h15-16,19-20,47-49H,5-14,17-18,21-46H2,1-4H3;19-20,23-24,46-48H,7-18,21-22,25-45H2,1-6H3;40-48H,13-39H2,1-12H3;41-47H,9-40H2,1-8H3;40-46H,11-39H2,1-10H3;39-45H,11-38H2,1-10H3/b19-15-,20-16-;23-19-,24-20-;;;;
InChIKeyDETSUZHKBKKHTM-FJWISJILSA-N
MW4739.85 g/mol
LogP84.10
Rot. Bonds237

About bis(2-ethylbutyl) (6Z,25Z)-16-[4-(diethylamino)butanoyloxy]hentriaconta-6,25-dienedioate;bis(2-ethylbutyl) (6Z,25Z)-16-(4-piperidin-1-ylbutanoyloxy)hentriaconta-6,25-dienedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-(diethylamino)propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[di(propan-2-yl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[ethyl(methyl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-(3-piperidin-1-ylpropoxy)henicosanedioate

bis(2-ethylbutyl) (6Z,25Z)-16-[4-(diethylamino)butanoyloxy]hentriaconta-6,25-dienedioate;bis(2-ethylbutyl) (6Z,25Z)-16-(4-piperidin-1-ylbutanoyloxy)hentriaconta-6,25-dienedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-(diethylamino)propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[di(propan-2-yl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[ethyl(methyl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-(3-piperidin-1-ylpropoxy)henicosanedioate (PubChem CID 164971628) has the molecular formula C297H572N6O32 and a molecular weight of 4739.85 g/mol. Its IUPAC name is bis(2-ethylbutyl) (6Z,25Z)-16-[4-(diethylamino)butanoyloxy]hentriaconta-6,25-dienedioate;bis(2-ethylbutyl) (6Z,25Z)-16-(4-piperidin-1-ylbutanoyloxy)hentriaconta-6,25-dienedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-(diethylamino)propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[di(propan-2-yl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[ethyl(methyl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-(3-piperidin-1-ylpropoxy)henicosanedioate.

Molecular Properties

Compound Namebis(2-ethylbutyl) (6Z,25Z)-16-[4-(diethylamino)butanoyloxy]hentriaconta-6,25-dienedioate;bis(2-ethylbutyl) (6Z,25Z)-16-(4-piperidin-1-ylbutanoyloxy)hentriaconta-6,25-dienedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-(diethylamino)propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[di(propan-2-yl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[ethyl(methyl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-(3-piperidin-1-ylpropoxy)henicosanedioate
PubChem CID164971628
Molecular FormulaC297H572N6O32
Molecular Weight4739.85 g/mol
Exact Mass4736.33
IUPAC Namebis(2-ethylbutyl) (6Z,25Z)-16-[4-(diethylamino)butanoyloxy]hentriaconta-6,25-dienedioate;bis(2-ethylbutyl) (6Z,25Z)-16-(4-piperidin-1-ylbutanoyloxy)hentriaconta-6,25-dienedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-(diethylamino)propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[di(propan-2-yl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[ethyl(methyl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-(3-piperidin-1-ylpropoxy)henicosanedioate
SMILESCC(C)CCC(COC(=O)CCCCCCCCCC(CCCCCCCCCC(=O)OCC(CCC(C)C)C(C)C)OCCCN(C(C)C)C(C)C)C(C)C.CC(C)CCC(COC(=O)CCCCCCCCCC(CCCCCCCCCC(=O)OCC(CCC(C)C)C(C)C)OCCCN1CCCCC1)C(C)C.CCC(CC)COC(=O)CCCC/C=C\CCCCCCCCC(CCCCCCCC/C=C\CCCCC(=O)OCC(CC)CC)OC(=O)CCCN(CC)CC.CCC(CC)COC(=O)CCCC/C=C\CCCCCCCCC(CCCCCCCC/C=C\CCCCC(=O)OCC(CC)CC)OC(=O)CCCN1CCCCC1.CCN(C)CCCOC(CCCCCCCCCC(=O)OCC(CCC(C)C)C(C)C)CCCCCCCCCC(=O)OCC(CCC(C)C)C(C)C.CCN(CC)CCCOC(CCCCCCCCCC(=O)OCC(CCC(C)C)C(C)C)CCCCCCCCCC(=O)OCC(CCC(C)C)C(C)C
InChIInChI=1S/C52H95NO6.C51H95NO6.C50H99NO5.C49H95NO5.C48H95NO5.C47H93NO5/c1-5-47(6-2)45-57-50(54)39-32-27-23-19-15-11-9-13-17-21-25-30-37-49(59-52(56)41-36-44-53-42-34-29-35-43-53)38-31-26-22-18-14-10-12-16-20-24-28-33-40-51(55)58-46-48(7-3)8-4;1-7-46(8-2)44-56-49(53)40-35-31-27-23-19-15-13-17-21-25-29-33-38-48(58-51(55)42-37-43-52(11-5)12-6)39-34-30-26-22-18-14-16-20-24-28-32-36-41-50(54)57-45-47(9-3)10-4;1-40(2)32-34-46(42(5)6)38-55-49(52)30-25-21-17-13-15-19-23-28-48(54-37-27-36-51(44(9)10)45(11)12)29-24-20-16-14-18-22-26-31-50(53)56-39-47(43(7)8)35-33-41(3)4;1-41(2)31-33-45(43(5)6)39-54-48(51)29-22-17-13-9-11-15-20-27-47(53-38-26-37-50-35-24-19-25-36-50)28-21-16-12-10-14-18-23-30-49(52)55-40-46(44(7)8)34-32-42(3)4;1-11-49(12-2)36-27-37-52-46(28-23-19-15-13-17-21-25-30-47(50)53-38-44(42(7)8)34-32-40(3)4)29-24-20-16-14-18-22-26-31-48(51)54-39-45(43(9)10)35-33-41(5)6;1-11-48(10)35-26-36-51-45(27-22-18-14-12-16-20-24-29-46(49)52-37-43(41(6)7)33-31-39(2)3)28-23-19-15-13-17-21-25-30-47(50)53-38-44(42(8)9)34-32-40(4)5/h15-16,19-20,47-49H,5-14,17-18,21-46H2,1-4H3;19-20,23-24,46-48H,7-18,21-22,25-45H2,1-6H3;40-48H,13-39H2,1-12H3;41-47H,9-40H2,1-8H3;40-46H,11-39H2,1-10H3;39-45H,11-38H2,1-10H3/b19-15-,20-16-;23-19-,24-20-;;;;
InChIKeyDETSUZHKBKKHTM-FJWISJILSA-N
XLogP84.10
TPSA424.56 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds237
Heavy Atoms335
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004739.85
LogP ≤ 584.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze bis(2-ethylbutyl) (6Z,25Z)-16-[4-(diethylamino)butanoyloxy]hentriaconta-6,25-dienedioate;bis(2-ethylbutyl) (6Z,25Z)-16-(4-piperidin-1-ylbutanoyloxy)hentriaconta-6,25-dienedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-(diethylamino)propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[di(propan-2-yl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[ethyl(methyl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-(3-piperidin-1-ylpropoxy)henicosanedioate with MolForge

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Related Compounds

1-O-[12-[2-[1-[8-[4-(dimethylamino)butanoyloxy]-15-[1-(3-pentyloctoxy)cyclohexyl]oxypentadecoxy]cyclohexyl]oxyethyl]-5-methyl-2-propan-2-ylheptadecyl] 21-O-(5-methyl-2-propan-2-ylhexyl) 11-(5-piperidin-1-ylpentyl)henicosanedioate
CID 139372260
(5-methyl-2-propan-2-ylhexyl) (20Z,23Z)-10-(2-piperidin-1-ylethyl)nonacosa-20,23-dienoate
CID 166035409
1-O,19-O-bis(5-methyl-2-propan-2-ylhexyl) 10-O-(2-pyrrolidin-1-ylethyl) nonadecane-1,10,19-tricarboxylate;1,7-bis[[2-[2-oxo-2-(3-pentyloctoxy)ethoxy]acetyl]oxy]heptan-4-yl 4-pyrrolidin-1-ylbutanoate;bis(3-pentyloct-2-enyl) 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;10-O-[2-(diethylamino)ethyl] 1-O,19-O-bis(5-methyl-2-propan-2-ylhexyl) nonadecane-1,10,19-tricarboxylate;1-O-[4-[4-(dimethylamino)butanoyloxy]-7-[4-oxo-4-(3-pentyloctoxy)butanoyl]oxyheptyl] 4-O-(3-pentyloctyl) butanedioate;1-O-[7-[4-oxo-4-(3-pentyloctoxy)butanoyl]oxy-4-(4-pyrrolidin-1-ylbutanoyloxy)heptyl] 4-O-(3-pentyloctyl) butanedioate
CID 165009776
bis(3-pentyloctyl) 9-[4-(diethylamino)butoxy]heptadecanedioate;bis(3-pentyloctyl) 9-[4-(4-methylpiperazin-1-yl)butoxy]heptadecanedioate;bis(3-pentyloctyl) 9-[4-[methyl(propan-2-yl)amino]butoxy]heptadecanedioate;bis(3-pentyloctyl) 9-(2-pyrrolidin-1-ylacetyl)oxyheptadecanedioate;bis(3-pentyloctyl) 9-(4-pyrrolidin-1-ylbutanoyloxy)heptadecanedioate;[17-(3-pentyloctanoyloxy)-9-(4-pyrrolidin-1-ylbutoxy)heptadecyl] 3-pentyloctanoate
CID 164971354
2-ethylbutyl 16-[4-(diethylamino)butanoyloxy]-31-(2-ethylbutoxy)hentriacontanoate
CID 123619561
bis(3-pentyloctyl) 9-[4-(diethylamino)butoxymethyl]heptadecanedioate;bis(3-pentyloctyl) 9-[3-(4-methylpiperazin-1-yl)propoxymethyl]heptadecanedioate;bis(3-pentyloctyl) 9-[3-[methyl(propan-2-yl)amino]propoxymethyl]heptadecanedioate;bis(3-pentyloctyl) 10-(4-morpholin-4-ylbutanoyloxy)nonadecanedioate;bis(3-pentyloctyl) 9-(3-piperidin-1-ylpropoxymethyl)heptadecanedioate
CID 165064116
1,17-bis[[(Z)-non-2-enoxy]carbonyloxy]heptadecan-9-yl 2-pyrrolidin-1-ylethyl carbonate;bis(3-pentyloctyl) 11-[4-(dimethylamino)butoxy]henicosanedioate;bis(3-pentyloctyl) 11-[4-[ethyl(methyl)amino]butoxy]henicosanedioate
CID 165020733
[(6E,9E,28E,31E)-heptatriaconta-6,9,28,31-tetraen-19-yl] 6-[bis[8-(1,3-dihexoxypropan-2-yloxy)-8-oxooctyl]amino]-2-(3-piperidin-1-ylpropyl)hexanoate
CID 177270108
bis(6-methyl-3-propan-2-ylheptyl) 11-methyl-11-(4-pyrrolidin-1-ylbutoxy)henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-(diethylamino)propanoylamino]-11-methylhenicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-methyl-11-(3-morpholin-4-ylpropanoylamino)henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-methyl-11-(3-piperidin-1-ylpropanoylamino)henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-methyl-11-(3-pyrrolidin-1-ylpropanoylamino)henicosanedioate;1,3-bis[[(9Z,12Z)-octadeca-9,12-dienoxy]methoxy]propan-2-yl 4-(dimethylamino)butanoate
CID 165078692
[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl] 5-piperidin-1-ylpentanoate
CID 172949810
bis(3-pentyloctyl) 10-(4-piperidin-1-ylbutanoyloxy)nonadecanedioate;bis(3-pentyloctyl) 10-(2-pyrrolidin-1-ylacetyl)oxynonadecanedioate;[9-[4-(diethylamino)butoxymethyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-(4-methylpiperazin-1-yl)propoxymethyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-[methyl(propan-2-yl)amino]propoxymethyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate
CID 165101098
8-O-heptadecan-9-yl 1-O-[2-[(8-heptadecan-9-yloxy-8-oxooctanoyl)oxymethyl]-3-(3-pyrrolidin-1-ylpropoxycarbonyloxy)propyl] octanedioate
CID 162764275

Frequently Asked Questions

What is the IUPAC name of bis(2-ethylbutyl) (6Z,25Z)-16-[4-(diethylamino)butanoyloxy]hentriaconta-6,25-dienedioate;bis(2-ethylbutyl) (6Z,25Z)-16-(4-piperidin-1-ylbutanoyloxy)hentriaconta-6,25-dienedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-(diethylamino)propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[di(propan-2-yl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[ethyl(methyl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-(3-piperidin-1-ylpropoxy)henicosanedioate?
The IUPAC name of bis(2-ethylbutyl) (6Z,25Z)-16-[4-(diethylamino)butanoyloxy]hentriaconta-6,25-dienedioate;bis(2-ethylbutyl) (6Z,25Z)-16-(4-piperidin-1-ylbutanoyloxy)hentriaconta-6,25-dienedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-(diethylamino)propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[di(propan-2-yl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[ethyl(methyl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-(3-piperidin-1-ylpropoxy)henicosanedioate (CID 164971628) is bis(2-ethylbutyl) (6Z,25Z)-16-[4-(diethylamino)butanoyloxy]hentriaconta-6,25-dienedioate;bis(2-ethylbutyl) (6Z,25Z)-16-(4-piperidin-1-ylbutanoyloxy)hentriaconta-6,25-dienedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-(diethylamino)propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[di(propan-2-yl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[ethyl(methyl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-(3-piperidin-1-ylpropoxy)henicosanedioate.
What is the SMILES notation for bis(2-ethylbutyl) (6Z,25Z)-16-[4-(diethylamino)butanoyloxy]hentriaconta-6,25-dienedioate;bis(2-ethylbutyl) (6Z,25Z)-16-(4-piperidin-1-ylbutanoyloxy)hentriaconta-6,25-dienedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-(diethylamino)propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[di(propan-2-yl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[ethyl(methyl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-(3-piperidin-1-ylpropoxy)henicosanedioate?
The canonical SMILES for bis(2-ethylbutyl) (6Z,25Z)-16-[4-(diethylamino)butanoyloxy]hentriaconta-6,25-dienedioate;bis(2-ethylbutyl) (6Z,25Z)-16-(4-piperidin-1-ylbutanoyloxy)hentriaconta-6,25-dienedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-(diethylamino)propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[di(propan-2-yl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[ethyl(methyl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-(3-piperidin-1-ylpropoxy)henicosanedioate is CC(C)CCC(COC(=O)CCCCCCCCCC(CCCCCCCCCC(=O)OCC(CCC(C)C)C(C)C)OCCCN(C(C)C)C(C)C)C(C)C.CC(C)CCC(COC(=O)CCCCCCCCCC(CCCCCCCCCC(=O)OCC(CCC(C)C)C(C)C)OCCCN1CCCCC1)C(C)C.CCC(CC)COC(=O)CCCC/C=C\CCCCCCCCC(CCCCCCCC/C=C\CCCCC(=O)OCC(CC)CC)OC(=O)CCCN(CC)CC.CCC(CC)COC(=O)CCCC/C=C\CCCCCCCCC(CCCCCCCC/C=C\CCCCC(=O)OCC(CC)CC)OC(=O)CCCN1CCCCC1.CCN(C)CCCOC(CCCCCCCCCC(=O)OCC(CCC(C)C)C(C)C)CCCCCCCCCC(=O)OCC(CCC(C)C)C(C)C.CCN(CC)CCCOC(CCCCCCCCCC(=O)OCC(CCC(C)C)C(C)C)CCCCCCCCCC(=O)OCC(CCC(C)C)C(C)C.
What is the InChIKey of bis(2-ethylbutyl) (6Z,25Z)-16-[4-(diethylamino)butanoyloxy]hentriaconta-6,25-dienedioate;bis(2-ethylbutyl) (6Z,25Z)-16-(4-piperidin-1-ylbutanoyloxy)hentriaconta-6,25-dienedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-(diethylamino)propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[di(propan-2-yl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[ethyl(methyl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-(3-piperidin-1-ylpropoxy)henicosanedioate?
The InChIKey is DETSUZHKBKKHTM-FJWISJILSA-N. The full InChI is InChI=1S/C52H95NO6.C51H95NO6.C50H99NO5.C49H95NO5.C48H95NO5.C47H93NO5/c1-5-47(6-2)45-57-50(54)39-32-27-23-19-15-11-9-13-17-21-25-30-37-49(59-52(56)41-36-44-53-42-34-29-35-43-53)38-31-26-22-18-14-10-12-16-20-24-28-33-40-51(55)58-46-48(7-3)8-4;1-7-46(8-2)44-56-49(53)40-35-31-27-23-19-15-13-17-21-25-29-33-38-48(58-51(55)42-37-43-52(11-5)12-6)39-34-30-26-22-18-14-16-20-24-28-32-36-41-50(54)57-45-47(9-3)10-4;1-40(2)32-34-46(42(5)6)38-55-49(52)30-25-21-17-13-15-19-23-28-48(54-37-27-36-51(44(9)10)45(11)12)29-24-20-16-14-18-22-26-31-50(53)56-39-47(43(7)8)35-33-41(3)4;1-41(2)31-33-45(43(5)6)39-54-48(51)29-22-17-13-9-11-15-20-27-47(53-38-26-37-50-35-24-19-25-36-50)28-21-16-12-10-14-18-23-30-49(52)55-40-46(44(7)8)34-32-42(3)4;1-11-49(12-2)36-27-37-52-46(28-23-19-15-13-17-21-25-30-47(50)53-38-44(42(7)8)34-32-40(3)4)29-24-20-16-14-18-22-26-31-48(51)54-39-45(43(9)10)35-33-41(5)6;1-11-48(10)35-26-36-51-45(27-22-18-14-12-16-20-24-29-46(49)52-37-43(41(6)7)33-31-39(2)3)28-23-19-15-13-17-21-25-30-47(50)53-38-44(42(8)9)34-32-40(4)5/h15-16,19-20,47-49H,5-14,17-18,21-46H2,1-4H3;19-20,23-24,46-48H,7-18,21-22,25-45H2,1-6H3;40-48H,13-39H2,1-12H3;41-47H,9-40H2,1-8H3;40-46H,11-39H2,1-10H3;39-45H,11-38H2,1-10H3/b19-15-,20-16-;23-19-,24-20-;;;;.
What are the key properties of bis(2-ethylbutyl) (6Z,25Z)-16-[4-(diethylamino)butanoyloxy]hentriaconta-6,25-dienedioate;bis(2-ethylbutyl) (6Z,25Z)-16-(4-piperidin-1-ylbutanoyloxy)hentriaconta-6,25-dienedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-(diethylamino)propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[di(propan-2-yl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[ethyl(methyl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-(3-piperidin-1-ylpropoxy)henicosanedioate?
bis(2-ethylbutyl) (6Z,25Z)-16-[4-(diethylamino)butanoyloxy]hentriaconta-6,25-dienedioate;bis(2-ethylbutyl) (6Z,25Z)-16-(4-piperidin-1-ylbutanoyloxy)hentriaconta-6,25-dienedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-(diethylamino)propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[di(propan-2-yl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[ethyl(methyl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-(3-piperidin-1-ylpropoxy)henicosanedioate has a molecular weight of 4739.85 g/mol, XLogP of 84.10, 237 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethylbutyl) (6Z,25Z)-16-[4-(diethylamino)butanoyloxy]hentriaconta-6,25-dienedioate;bis(2-ethylbutyl) (6Z,25Z)-16-(4-piperidin-1-ylbutanoyloxy)hentriaconta-6,25-dienedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-(diethylamino)propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[di(propan-2-yl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-[3-[ethyl(methyl)amino]propoxy]henicosanedioate;bis(5-methyl-2-propan-2-ylhexyl) 11-(3-piperidin-1-ylpropoxy)henicosanedioate is sourced from PubChem (CID 164971628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).