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

C257H498N6O26 — CID 165058108

IUPACbis(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
SMILESCCCCCC(CCCCC)CCOC(=O)CCCCCCCC(CCCCCCCC(=O)OCCC(CCCCC)CCCCC)CC(=O)OCCCN1CCCC1.CCCCCC(CCCCC)CCOC(=O)CCCCCCCC(CCCCCCCC(=O)OCCC(CCCCC)CCCCC)CC(=O)OCCCN1CCN(C)CC1.CCCCCC(CCCCC)CCOC(=O)CCCCCCCC(CCCCCCCC(=O)OCCC(CCCCC)CCCCC)CC(=O)OCCN1CCCC1.CCCCCC(CCCCC)CCOC(=O)CCCCCCCCC(CCCCCCCCC(=O)OCCC(CCCCC)CCCCC)CCN(C)CC.CCCCCC(CCCCC)CCOC(=O)CCCCCCCCC(CCCCCCCCC(=O)OCCC(CCCCC)CCCCC)CCN(CC)CC
InChIInChI=1S/C53H102N2O6.C52H99NO6.C51H97NO6.C51H101NO4.C50H99NO4/c1-6-10-20-29-48(30-21-11-7-2)37-45-60-51(56)35-26-18-14-16-24-33-50(47-53(58)59-44-28-39-55-42-40-54(5)41-43-55)34-25-17-15-19-27-36-52(57)61-46-38-49(31-22-12-8-3)32-23-13-9-4;1-5-9-19-30-47(31-20-10-6-2)38-44-58-50(54)36-25-17-13-15-23-34-49(46-52(56)57-43-29-42-53-40-27-28-41-53)35-24-16-14-18-26-37-51(55)59-45-39-48(32-21-11-7-3)33-22-12-8-4;1-5-9-19-29-46(30-20-10-6-2)37-42-56-49(53)35-25-17-13-15-23-33-48(45-51(55)58-44-41-52-39-27-28-40-52)34-24-16-14-18-26-36-50(54)57-43-38-47(31-21-11-7-3)32-22-12-8-4;1-7-13-25-33-48(34-26-14-8-2)42-45-55-50(53)39-31-23-19-17-21-29-37-47(41-44-52(11-5)12-6)38-30-22-18-20-24-32-40-51(54)56-46-43-49(35-27-15-9-3)36-28-16-10-4;1-7-12-24-32-47(33-25-13-8-2)41-44-54-49(52)38-30-22-18-16-20-28-36-46(40-43-51(6)11-5)37-29-21-17-19-23-31-39-50(53)55-45-42-48(34-26-14-9-3)35-27-15-10-4/h48-50H,6-47H2,1-5H3;47-49H,5-46H2,1-4H3;46-48H,5-45H2,1-4H3;47-49H,7-46H2,1-6H3;46-48H,7-45H2,1-6H3
InChIKeyQTMIIKDRQLBYLF-UHFFFAOYSA-N
MW4088.83 g/mol
LogP75.07
Rot. Bonds220

About 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

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 (PubChem CID 165058108) has the molecular formula C257H498N6O26 and a molecular weight of 4088.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID165058108
Molecular FormulaC257H498N6O26
Molecular Weight4088.83 g/mol
Exact Mass4085.78
IUPAC Namebis(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
SMILESCCCCCC(CCCCC)CCOC(=O)CCCCCCCC(CCCCCCCC(=O)OCCC(CCCCC)CCCCC)CC(=O)OCCCN1CCCC1.CCCCCC(CCCCC)CCOC(=O)CCCCCCCC(CCCCCCCC(=O)OCCC(CCCCC)CCCCC)CC(=O)OCCCN1CCN(C)CC1.CCCCCC(CCCCC)CCOC(=O)CCCCCCCC(CCCCCCCC(=O)OCCC(CCCCC)CCCCC)CC(=O)OCCN1CCCC1.CCCCCC(CCCCC)CCOC(=O)CCCCCCCCC(CCCCCCCCC(=O)OCCC(CCCCC)CCCCC)CCN(C)CC.CCCCCC(CCCCC)CCOC(=O)CCCCCCCCC(CCCCCCCCC(=O)OCCC(CCCCC)CCCCC)CCN(CC)CC
InChIInChI=1S/C53H102N2O6.C52H99NO6.C51H97NO6.C51H101NO4.C50H99NO4/c1-6-10-20-29-48(30-21-11-7-2)37-45-60-51(56)35-26-18-14-16-24-33-50(47-53(58)59-44-28-39-55-42-40-54(5)41-43-55)34-25-17-15-19-27-36-52(57)61-46-38-49(31-22-12-8-3)32-23-13-9-4;1-5-9-19-30-47(31-20-10-6-2)38-44-58-50(54)36-25-17-13-15-23-34-49(46-52(56)57-43-29-42-53-40-27-28-41-53)35-24-16-14-18-26-37-51(55)59-45-39-48(32-21-11-7-3)33-22-12-8-4;1-5-9-19-29-46(30-20-10-6-2)37-42-56-49(53)35-25-17-13-15-23-33-48(45-51(55)58-44-41-52-39-27-28-40-52)34-24-16-14-18-26-36-50(54)57-43-38-47(31-21-11-7-3)32-22-12-8-4;1-7-13-25-33-48(34-26-14-8-2)42-45-55-50(53)39-31-23-19-17-21-29-37-47(41-44-52(11-5)12-6)38-30-22-18-20-24-32-40-51(54)56-46-43-49(35-27-15-9-3)36-28-16-10-4;1-7-12-24-32-47(33-25-13-8-2)41-44-54-49(52)38-30-22-18-16-20-28-36-46(40-43-51(6)11-5)37-29-21-17-19-23-31-39-50(53)55-45-42-48(34-26-14-9-3)35-27-15-10-4/h48-50H,6-47H2,1-5H3;47-49H,5-46H2,1-4H3;46-48H,5-45H2,1-4H3;47-49H,7-46H2,1-6H3;46-48H,7-45H2,1-6H3
InChIKeyQTMIIKDRQLBYLF-UHFFFAOYSA-N
XLogP75.07
TPSA361.34 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds220
Heavy Atoms289
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004088.83
LogP ≤ 575.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

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-[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 with MolForge

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Related Compounds

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
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) 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-(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
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
[9-[3-(dimethylamino)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-[ethyl(methyl)amino]propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-(4-methylpiperazin-1-yl)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-(3-morpholin-4-ylpropyl)-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-piperidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-pyrrolidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate
CID 158484679
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) 9-methyl-9-[2-[3-(4-methylpiperazin-1-yl)propoxy]-2-oxoethyl]heptadecanedioate
CID 166970045
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
bis[(Z)-non-2-enyl] 9-(2-pyrrolidin-1-ylethoxymethoxy)heptadecanedioate;3-(dimethylamino)propyl 10-(3-pentyloctanoyloxy)-2-[8-(3-pentyloctanoyloxy)octyl]decanoate;3-[ethyl(methyl)amino]propyl 10-(3-pentyloctanoyloxy)-2-[8-(3-pentyloctanoyloxy)octyl]decanoate;3-(4-methylpiperazin-1-yl)propyl 10-(3-pentyloctanoyloxy)-2-[8-(3-pentyloctanoyloxy)octyl]decanoate;3-pyrrolidin-1-ylpropyl 10-(3-pentyloctanoyloxy)-2-[8-(3-pentyloctanoyloxy)octyl]decanoate
CID 165107696
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
[10-[4-(4-methylpiperazin-1-yl)butanoyloxy]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate
CID 118403652

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCC(CCCCC)CCOC(=O)CCCCCCCC(CCCCCCCC(=O)OCCC(CCCCC)CCCCC)CC(=O)OCCCN1CCCC1.CCCCCC(CCCCC)CCOC(=O)CCCCCCCC(CCCCCCCC(=O)OCCC(CCCCC)CCCCC)CC(=O)OCCCN1CCN(C)CC1.CCCCCC(CCCCC)CCOC(=O)CCCCCCCC(CCCCCCCC(=O)OCCC(CCCCC)CCCCC)CC(=O)OCCN1CCCC1.CCCCCC(CCCCC)CCOC(=O)CCCCCCCCC(CCCCCCCCC(=O)OCCC(CCCCC)CCCCC)CCN(C)CC.CCCCCC(CCCCC)CCOC(=O)CCCCCCCCC(CCCCCCCCC(=O)OCCC(CCCCC)CCCCC)CCN(CC)CC.
What is the InChIKey of 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?
The InChIKey is QTMIIKDRQLBYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H102N2O6.C52H99NO6.C51H97NO6.C51H101NO4.C50H99NO4/c1-6-10-20-29-48(30-21-11-7-2)37-45-60-51(56)35-26-18-14-16-24-33-50(47-53(58)59-44-28-39-55-42-40-54(5)41-43-55)34-25-17-15-19-27-36-52(57)61-46-38-49(31-22-12-8-3)32-23-13-9-4;1-5-9-19-30-47(31-20-10-6-2)38-44-58-50(54)36-25-17-13-15-23-34-49(46-52(56)57-43-29-42-53-40-27-28-41-53)35-24-16-14-18-26-37-51(55)59-45-39-48(32-21-11-7-3)33-22-12-8-4;1-5-9-19-29-46(30-20-10-6-2)37-42-56-49(53)35-25-17-13-15-23-33-48(45-51(55)58-44-41-52-39-27-28-40-52)34-24-16-14-18-26-36-50(54)57-43-38-47(31-21-11-7-3)32-22-12-8-4;1-7-13-25-33-48(34-26-14-8-2)42-45-55-50(53)39-31-23-19-17-21-29-37-47(41-44-52(11-5)12-6)38-30-22-18-20-24-32-40-51(54)56-46-43-49(35-27-15-9-3)36-28-16-10-4;1-7-12-24-32-47(33-25-13-8-2)41-44-54-49(52)38-30-22-18-16-20-28-36-46(40-43-51(6)11-5)37-29-21-17-19-23-31-39-50(53)55-45-42-48(34-26-14-9-3)35-27-15-10-4/h48-50H,6-47H2,1-5H3;47-49H,5-46H2,1-4H3;46-48H,5-45H2,1-4H3;47-49H,7-46H2,1-6H3;46-48H,7-45H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 4088.83 g/mol, XLogP of 75.07, 220 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165058108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).