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

C260H506N6O27 — CID 165101098

IUPACbis(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
SMILESCCCCCC(CCCCC)CC(=O)OCCCCCCCCC(CCCCCCCCOC(=O)CC(CCCCC)CCCCC)COCCCCN(CC)CC.CCCCCC(CCCCC)CC(=O)OCCCCCCCCC(CCCCCCCCOC(=O)CC(CCCCC)CCCCC)COCCCN(C)C(C)C.CCCCCC(CCCCC)CC(=O)OCCCCCCCCC(CCCCCCCCOC(=O)CC(CCCCC)CCCCC)COCCCN1CCN(C)CC1.CCCCCC(CCCCC)CCOC(=O)CCCCCCCCC(CCCCCCCCC(=O)OCCC(CCCCC)CCCCC)OC(=O)CCCN1CCCCC1.CCCCCC(CCCCC)CCOC(=O)CCCCCCCCC(CCCCCCCCC(=O)OCCC(CCCCC)CCCCC)OC(=O)CN1CCCC1
InChIInChI=1S/C54H103NO6.C52H102N2O5.C52H103NO5.C51H97NO6.C51H101NO5/c1-5-9-22-33-49(34-23-10-6-2)42-47-59-52(56)39-28-19-15-13-17-26-37-51(61-54(58)41-32-46-55-44-30-21-31-45-55)38-27-18-14-16-20-29-40-53(57)60-48-43-50(35-24-11-7-3)36-25-12-8-4;1-6-10-22-31-48(32-23-11-7-2)45-51(55)58-43-28-20-16-14-18-26-35-50(47-57-42-30-37-54-40-38-53(5)39-41-54)36-27-19-15-17-21-29-44-59-52(56)46-49(33-24-12-8-3)34-25-13-9-4;1-7-13-25-35-48(36-26-14-8-2)45-51(54)57-43-32-23-19-17-21-29-39-50(47-56-42-34-31-41-53(11-5)12-6)40-30-22-18-20-24-33-44-58-52(55)46-49(37-27-15-9-3)38-28-16-10-4;1-5-9-21-31-46(32-22-10-6-2)39-43-56-49(53)37-27-19-15-13-17-25-35-48(58-51(55)45-52-41-29-30-42-52)36-26-18-14-16-20-28-38-50(54)57-44-40-47(33-23-11-7-3)34-24-12-8-4;1-8-12-24-33-47(34-25-13-9-2)43-50(53)56-41-30-22-18-16-20-28-37-49(45-55-40-32-39-52(7)46(5)6)38-29-21-17-19-23-31-42-57-51(54)44-48(35-26-14-10-3)36-27-15-11-4/h49-51H,5-48H2,1-4H3;48-50H,6-47H2,1-5H3;48-50H,7-47H2,1-6H3;46-48H,5-45H2,1-4H3;46-49H,8-45H2,1-7H3
InChIKeyYIGDILDFSDUYFL-UHFFFAOYSA-N
MW4148.92 g/mol
LogP75.47
Rot. Bonds224

About 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

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 (PubChem CID 165101098) has the molecular formula C260H506N6O27 and a molecular weight of 4148.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID165101098
Molecular FormulaC260H506N6O27
Molecular Weight4148.92 g/mol
Exact Mass4145.84
IUPAC Namebis(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
SMILESCCCCCC(CCCCC)CC(=O)OCCCCCCCCC(CCCCCCCCOC(=O)CC(CCCCC)CCCCC)COCCCCN(CC)CC.CCCCCC(CCCCC)CC(=O)OCCCCCCCCC(CCCCCCCCOC(=O)CC(CCCCC)CCCCC)COCCCN(C)C(C)C.CCCCCC(CCCCC)CC(=O)OCCCCCCCCC(CCCCCCCCOC(=O)CC(CCCCC)CCCCC)COCCCN1CCN(C)CC1.CCCCCC(CCCCC)CCOC(=O)CCCCCCCCC(CCCCCCCCC(=O)OCCC(CCCCC)CCCCC)OC(=O)CCCN1CCCCC1.CCCCCC(CCCCC)CCOC(=O)CCCCCCCCC(CCCCCCCCC(=O)OCCC(CCCCC)CCCCC)OC(=O)CN1CCCC1
InChIInChI=1S/C54H103NO6.C52H102N2O5.C52H103NO5.C51H97NO6.C51H101NO5/c1-5-9-22-33-49(34-23-10-6-2)42-47-59-52(56)39-28-19-15-13-17-26-37-51(61-54(58)41-32-46-55-44-30-21-31-45-55)38-27-18-14-16-20-29-40-53(57)60-48-43-50(35-24-11-7-3)36-25-12-8-4;1-6-10-22-31-48(32-23-11-7-2)45-51(55)58-43-28-20-16-14-18-26-35-50(47-57-42-30-37-54-40-38-53(5)39-41-54)36-27-19-15-17-21-29-44-59-52(56)46-49(33-24-12-8-3)34-25-13-9-4;1-7-13-25-35-48(36-26-14-8-2)45-51(54)57-43-32-23-19-17-21-29-39-50(47-56-42-34-31-41-53(11-5)12-6)40-30-22-18-20-24-33-44-58-52(55)46-49(37-27-15-9-3)38-28-16-10-4;1-5-9-21-31-46(32-22-10-6-2)39-43-56-49(53)37-27-19-15-13-17-25-35-48(58-51(55)45-52-41-29-30-42-52)36-26-18-14-16-20-28-38-50(54)57-44-40-47(33-23-11-7-3)34-24-12-8-4;1-8-12-24-33-47(34-25-13-9-2)43-50(53)56-41-30-22-18-16-20-28-37-49(45-55-40-32-39-52(7)46(5)6)38-29-21-17-19-23-31-42-57-51(54)44-48(35-26-14-10-3)36-27-15-11-4/h49-51H,5-48H2,1-4H3;48-50H,6-47H2,1-5H3;48-50H,7-47H2,1-6H3;46-48H,5-45H2,1-4H3;46-49H,8-45H2,1-7H3
InChIKeyYIGDILDFSDUYFL-UHFFFAOYSA-N
XLogP75.47
TPSA362.73 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds224
Heavy Atoms293
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004148.92
LogP ≤ 575.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
bis(3-pentyloctyl) 10-(2-pyrrolidin-1-ylacetyl)oxynonadecanedioate;[9-[4-(diethylamino)butoxymethyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-[methyl(propan-2-yl)amino]propoxymethyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;3-pentyloctyl 8-[2-[8-oxo-8-(3-pentyloctoxy)octyl]-4-(2-piperidin-1-ylethyl)-1,3-dioxolan-2-yl]octanoate;3-pentyloctyl 8-[2-[8-oxo-8-(3-pentyloctoxy)octyl]-4-(2-pyrrolidin-1-ylethyl)-1,3-dioxolan-2-yl]octanoate
CID 164985881
bis(3-butylheptyl) 11-[3-(diethylamino)propoxymethyl]henicosanedioate;bis(3-butylheptyl) 11-[3-(4-methylpiperazin-1-yl)propoxymethyl]henicosanedioate;1-O,19-O-bis(3-butylheptyl) 10-O-(3-morpholin-4-ylpropyl) nonadecane-1,10,19-tricarboxylate;1-O,19-O-bis(3-butylheptyl) 10-O-(3-pyrrolidin-1-ylpropyl) nonadecane-1,10,19-tricarboxylate;[21-(3-butylheptanoyloxy)-11-[4-(diethylamino)butanoyloxy]henicosyl] 3-butylheptanoate;[21-(3-butylheptanoyloxy)-11-[4-(4-methylpiperazin-1-yl)butanoyloxy]henicosyl] 3-butylheptanoate
CID 165053598
bis(3-pentyloctyl) 11-[2-(diethylamino)ethyl]henicosanedioate;bis(3-pentyloctyl) 11-[2-(4-methylpiperazin-1-yl)ethyl]henicosanedioate;bis(3-pentyloctyl) 11-[2-[methyl(propan-2-yl)amino]ethyl]henicosanedioate;bis(3-pentyloctyl) 11-(2-morpholin-4-ylethyl)henicosanedioate;bis(3-pentyloctyl) 11-(3-pyrrolidin-1-ylpropoxymethyl)henicosanedioate;[11-[3-(dimethylamino)propanoylamino]-21-(3-pentyloctanoyloxy)henicosyl] 3-pentyloctanoate
CID 165018155
bis(3-pentyloctyl) 10-[2-(diethylamino)ethyl]nonadecanedioate;bis(3-pentyloctyl) 10-[2-[ethyl(methyl)amino]ethyl]nonadecanedioate;bis(3-pentyloctyl) 9-[2-[3-(4-methylpiperazin-1-yl)propoxy]-2-oxoethyl]heptadecanedioate;bis(3-pentyloctyl) 9-[2-oxo-2-(2-pyrrolidin-1-ylethoxy)ethyl]heptadecanedioate;bis(3-pentyloctyl) 9-[2-oxo-2-(3-pyrrolidin-1-ylpropoxy)ethyl]heptadecanedioate
CID 165058108
bis(3-pentyloctyl) 9-[(4-methylpiperazin-1-yl)methyl]heptadecanedioate;bis(3-pentyloctyl) 9-(4-morpholin-4-ylbutoxy)heptadecanedioate;bis(3-pentyloctyl) 9-(3-morpholin-4-ylpropoxy)heptadecanedioate;bis(3-pentyloctyl) 9-(3-pyrrolidin-1-ylpropoxy)heptadecanedioate;[9-[4-(diethylamino)butoxy]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[4-(4-methylpiperazin-1-yl)butoxy]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate
CID 162151356
[10-[4-(4-methylpiperazin-1-yl)butanoyloxy]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate
CID 118403652
2-[1-[1,15-bis[1-(3-pentyloctoxy)ethoxy]pentadecan-8-yloxy]ethoxy]-N,N-dimethylethanamine;1-O,19-O-bis(3-pentyloctyl) 10-O-(3-piperidin-1-ylpropyl) nonadecane-1,10,19-tricarboxylate;bis(3-pentyloctyl) 9-(2-pyrrolidin-1-ylethoxycarbonyloxy)heptadecanedioate;10-O-[3-(diethylamino)propyl] 1-O,19-O-bis(3-pentyloctyl) nonadecane-1,10,19-tricarboxylate;10-O-[3-(4-methylpiperazin-1-yl)propyl] 1-O,19-O-bis(3-pentyloctyl) nonadecane-1,10,19-tricarboxylate;3-pyrrolidin-1-ylpropyl 12-(3-pentyloctanoyloxy)-2-[10-(3-pentyloctanoyloxy)decyl]dodecanoate
CID 165013627
pentyl 8-[2-(4-methylpiperazin-1-yl)ethyl-(8-oxo-8-tetradecan-7-yloxyoctyl)amino]octanoate
CID 167418965
1-O-[3-butyl-9-[2-[21-(3-butylheptanoyloxy)-11-[4-(dimethylamino)butanoyloxy]henicosoxy]-2-oxoethyl]-4-propyltridecyl] 21-O-(3-butylheptyl) 11-(4-pyrrolidin-1-ylbutanoyloxy)henicosanedioate
CID 130330130
bis(3-butylheptyl) 11-[4-(diethylamino)butoxy]henicosanedioate;bis(3-butylheptyl) 11-[4-[ethyl(methyl)amino]butoxy]henicosanedioate;bis(3-butylheptyl) 11-[2-(4-methylpiperazin-1-yl)ethyl]henicosanedioate;bis(3-butylheptyl) 11-[4-[methyl(propan-2-yl)amino]butoxy]henicosanedioate;[21-(3-butylheptanoyloxy)-11-[[2-[methyl(propan-2-yl)amino]acetyl]amino]henicosyl] 3-butylheptanoate
CID 164996877

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCC(CCCCC)CC(=O)OCCCCCCCCC(CCCCCCCCOC(=O)CC(CCCCC)CCCCC)COCCCCN(CC)CC.CCCCCC(CCCCC)CC(=O)OCCCCCCCCC(CCCCCCCCOC(=O)CC(CCCCC)CCCCC)COCCCN(C)C(C)C.CCCCCC(CCCCC)CC(=O)OCCCCCCCCC(CCCCCCCCOC(=O)CC(CCCCC)CCCCC)COCCCN1CCN(C)CC1.CCCCCC(CCCCC)CCOC(=O)CCCCCCCCC(CCCCCCCCC(=O)OCCC(CCCCC)CCCCC)OC(=O)CCCN1CCCCC1.CCCCCC(CCCCC)CCOC(=O)CCCCCCCCC(CCCCCCCCC(=O)OCCC(CCCCC)CCCCC)OC(=O)CN1CCCC1.
What is the InChIKey of 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?
The InChIKey is YIGDILDFSDUYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H103NO6.C52H102N2O5.C52H103NO5.C51H97NO6.C51H101NO5/c1-5-9-22-33-49(34-23-10-6-2)42-47-59-52(56)39-28-19-15-13-17-26-37-51(61-54(58)41-32-46-55-44-30-21-31-45-55)38-27-18-14-16-20-29-40-53(57)60-48-43-50(35-24-11-7-3)36-25-12-8-4;1-6-10-22-31-48(32-23-11-7-2)45-51(55)58-43-28-20-16-14-18-26-35-50(47-57-42-30-37-54-40-38-53(5)39-41-54)36-27-19-15-17-21-29-44-59-52(56)46-49(33-24-12-8-3)34-25-13-9-4;1-7-13-25-35-48(36-26-14-8-2)45-51(54)57-43-32-23-19-17-21-29-39-50(47-56-42-34-31-41-53(11-5)12-6)40-30-22-18-20-24-33-44-58-52(55)46-49(37-27-15-9-3)38-28-16-10-4;1-5-9-21-31-46(32-22-10-6-2)39-43-56-49(53)37-27-19-15-13-17-25-35-48(58-51(55)45-52-41-29-30-42-52)36-26-18-14-16-20-28-38-50(54)57-44-40-47(33-23-11-7-3)34-24-12-8-4;1-8-12-24-33-47(34-25-13-9-2)43-50(53)56-41-30-22-18-16-20-28-37-49(45-55-40-32-39-52(7)46(5)6)38-29-21-17-19-23-31-42-57-51(54)44-48(35-26-14-10-3)36-27-15-11-4/h49-51H,5-48H2,1-4H3;48-50H,6-47H2,1-5H3;48-50H,7-47H2,1-6H3;46-48H,5-45H2,1-4H3;46-49H,8-45H2,1-7H3.
What are the key properties of 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?
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 has a molecular weight of 4148.92 g/mol, XLogP of 75.47, 224 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165101098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).