bis[2-(4,8-dimethylnonanoyloxy)ethyl]-dimethylazanium;bis[2-(3-ethyl-7,11-dimethyldodecanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7-methyloctanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7,11,15-trimethylhexadecanoyl)oxyethyl]-dimethylazanium;dimethyl-bis[2-(4,8,12,16-tetramethylheptadecanoyloxy)ethyl]azanium;dimethyl-bis[2-(4,8,12-trimethyltridecanoyloxy)ethyl]azanium

C228H456N6O24+6 — CID 159266938

IUPACbis[2-(4,8-dimethylnonanoyloxy)ethyl]-dimethylazanium;bis[2-(3-ethyl-7,11-dimethyldodecanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7-methyloctanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7,11,15-trimethylhexadecanoyl)oxyethyl]-dimethylazanium;dimethyl-bis[2-(4,8,12,16-tetramethylheptadecanoyloxy)ethyl]azanium;dimethyl-bis[2-(4,8,12-trimethyltridecanoyloxy)ethyl]azanium
SMILESCC(C)CCCC(C)CCC(=O)OCC[N+](C)(C)CCOC(=O)CCC(C)CCCC(C)C.CC(C)CCCC(C)CCCC(C)CCC(=O)OCC[N+](C)(C)CCOC(=O)CCC(C)CCCC(C)CCCC(C)C.CC(C)CCCC(C)CCCC(C)CCCC(C)CCC(=O)OCC[N+](C)(C)CCOC(=O)CCC(C)CCCC(C)CCCC(C)CCCC(C)C.CCC(CCCC(C)C)CC(=O)OCC[N+](C)(C)CCOC(=O)CC(CC)CCCC(C)C.CCC(CCCC(C)CCCC(C)C)CC(=O)OCC[N+](C)(C)CCOC(=O)CC(CC)CCCC(C)CCCC(C)C.CCC(CCCC(C)CCCC(C)CCCC(C)C)CC(=O)OCC[N+](C)(C)CCOC(=O)CC(CC)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/2C48H96NO4.2C38H76NO4.2C28H56NO4/c1-39(2)19-13-21-41(5)23-15-25-43(7)27-17-29-45(9)31-33-47(50)52-37-35-49(11,12)36-38-53-48(51)34-32-46(10)30-18-28-44(8)26-16-24-42(6)22-14-20-40(3)4;1-13-45(31-19-29-43(9)27-17-25-41(7)23-15-21-39(3)4)37-47(50)52-35-33-49(11,12)34-36-53-48(51)38-46(14-2)32-20-30-44(10)28-18-26-42(8)24-16-22-40(5)6;1-31(2)15-11-17-33(5)19-13-21-35(7)23-25-37(40)42-29-27-39(9,10)28-30-43-38(41)26-24-36(8)22-14-20-34(6)18-12-16-32(3)4;1-11-35(23-15-21-33(7)19-13-17-31(3)4)29-37(40)42-27-25-39(9,10)26-28-43-38(41)30-36(12-2)24-16-22-34(8)20-14-18-32(5)6;1-23(2)11-9-13-25(5)15-17-27(30)32-21-19-29(7,8)20-22-33-28(31)18-16-26(6)14-10-12-24(3)4;1-9-25(15-11-13-23(3)4)21-27(30)32-19-17-29(7,8)18-20-33-28(31)22-26(10-2)16-12-14-24(5)6/h2*39-46H,13-38H2,1-12H3;2*31-36H,11-30H2,1-10H3;2*23-26H,9-22H2,1-8H3/q6*+1
InChIKeyKXFNYEVVHRLKDT-UHFFFAOYSA-N
MW3666.17 g/mol
LogP61.48
Rot. Bonds168

About bis[2-(4,8-dimethylnonanoyloxy)ethyl]-dimethylazanium;bis[2-(3-ethyl-7,11-dimethyldodecanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7-methyloctanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7,11,15-trimethylhexadecanoyl)oxyethyl]-dimethylazanium;dimethyl-bis[2-(4,8,12,16-tetramethylheptadecanoyloxy)ethyl]azanium;dimethyl-bis[2-(4,8,12-trimethyltridecanoyloxy)ethyl]azanium

bis[2-(4,8-dimethylnonanoyloxy)ethyl]-dimethylazanium;bis[2-(3-ethyl-7,11-dimethyldodecanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7-methyloctanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7,11,15-trimethylhexadecanoyl)oxyethyl]-dimethylazanium;dimethyl-bis[2-(4,8,12,16-tetramethylheptadecanoyloxy)ethyl]azanium;dimethyl-bis[2-(4,8,12-trimethyltridecanoyloxy)ethyl]azanium (PubChem CID 159266938) has the molecular formula C228H456N6O24+6 and a molecular weight of 3666.17 g/mol. Its IUPAC name is bis[2-(4,8-dimethylnonanoyloxy)ethyl]-dimethylazanium;bis[2-(3-ethyl-7,11-dimethyldodecanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7-methyloctanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7,11,15-trimethylhexadecanoyl)oxyethyl]-dimethylazanium;dimethyl-bis[2-(4,8,12,16-tetramethylheptadecanoyloxy)ethyl]azanium;dimethyl-bis[2-(4,8,12-trimethyltridecanoyloxy)ethyl]azanium.

Molecular Properties

Compound Namebis[2-(4,8-dimethylnonanoyloxy)ethyl]-dimethylazanium;bis[2-(3-ethyl-7,11-dimethyldodecanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7-methyloctanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7,11,15-trimethylhexadecanoyl)oxyethyl]-dimethylazanium;dimethyl-bis[2-(4,8,12,16-tetramethylheptadecanoyloxy)ethyl]azanium;dimethyl-bis[2-(4,8,12-trimethyltridecanoyloxy)ethyl]azanium
PubChem CID159266938
Molecular FormulaC228H456N6O24+6
Molecular Weight3666.17 g/mol
Exact Mass3663.46
IUPAC Namebis[2-(4,8-dimethylnonanoyloxy)ethyl]-dimethylazanium;bis[2-(3-ethyl-7,11-dimethyldodecanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7-methyloctanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7,11,15-trimethylhexadecanoyl)oxyethyl]-dimethylazanium;dimethyl-bis[2-(4,8,12,16-tetramethylheptadecanoyloxy)ethyl]azanium;dimethyl-bis[2-(4,8,12-trimethyltridecanoyloxy)ethyl]azanium
SMILESCC(C)CCCC(C)CCC(=O)OCC[N+](C)(C)CCOC(=O)CCC(C)CCCC(C)C.CC(C)CCCC(C)CCCC(C)CCC(=O)OCC[N+](C)(C)CCOC(=O)CCC(C)CCCC(C)CCCC(C)C.CC(C)CCCC(C)CCCC(C)CCCC(C)CCC(=O)OCC[N+](C)(C)CCOC(=O)CCC(C)CCCC(C)CCCC(C)CCCC(C)C.CCC(CCCC(C)C)CC(=O)OCC[N+](C)(C)CCOC(=O)CC(CC)CCCC(C)C.CCC(CCCC(C)CCCC(C)C)CC(=O)OCC[N+](C)(C)CCOC(=O)CC(CC)CCCC(C)CCCC(C)C.CCC(CCCC(C)CCCC(C)CCCC(C)C)CC(=O)OCC[N+](C)(C)CCOC(=O)CC(CC)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/2C48H96NO4.2C38H76NO4.2C28H56NO4/c1-39(2)19-13-21-41(5)23-15-25-43(7)27-17-29-45(9)31-33-47(50)52-37-35-49(11,12)36-38-53-48(51)34-32-46(10)30-18-28-44(8)26-16-24-42(6)22-14-20-40(3)4;1-13-45(31-19-29-43(9)27-17-25-41(7)23-15-21-39(3)4)37-47(50)52-35-33-49(11,12)34-36-53-48(51)38-46(14-2)32-20-30-44(10)28-18-26-42(8)24-16-22-40(5)6;1-31(2)15-11-17-33(5)19-13-21-35(7)23-25-37(40)42-29-27-39(9,10)28-30-43-38(41)26-24-36(8)22-14-20-34(6)18-12-16-32(3)4;1-11-35(23-15-21-33(7)19-13-17-31(3)4)29-37(40)42-27-25-39(9,10)26-28-43-38(41)30-36(12-2)24-16-22-34(8)20-14-18-32(5)6;1-23(2)11-9-13-25(5)15-17-27(30)32-21-19-29(7,8)20-22-33-28(31)18-16-26(6)14-10-12-24(3)4;1-9-25(15-11-13-23(3)4)21-27(30)32-19-17-29(7,8)18-20-33-28(31)22-26(10-2)16-12-14-24(5)6/h2*39-46H,13-38H2,1-12H3;2*31-36H,11-30H2,1-10H3;2*23-26H,9-22H2,1-8H3/q6*+1
InChIKeyKXFNYEVVHRLKDT-UHFFFAOYSA-N
XLogP61.48
TPSA315.60 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds168
Heavy Atoms258
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003666.17
LogP ≤ 561.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze bis[2-(4,8-dimethylnonanoyloxy)ethyl]-dimethylazanium;bis[2-(3-ethyl-7,11-dimethyldodecanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7-methyloctanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7,11,15-trimethylhexadecanoyl)oxyethyl]-dimethylazanium;dimethyl-bis[2-(4,8,12,16-tetramethylheptadecanoyloxy)ethyl]azanium;dimethyl-bis[2-(4,8,12-trimethyltridecanoyloxy)ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl-bis[2-(4,8,12-trimethyltridecanoyloxy)ethyl]azanium
CID 58133426
bis(5-methylhexyl) 3-ethyltridecanedioate
CID 87116784
bis(4-methylpentyl) 3-ethylpentadecanedioate
CID 87116900
3,7-dimethyloctyl pentanoate
CID 3022687
bis(5-methylhexyl) 4-methylicosanedioate
CID 87117608
bis(5-methylhexyl) 4-methylpentadecanedioate
CID 87116490
bis(6-methylheptyl) 4-ethyltridecanedioate
CID 87116324
[(3R)-3,7-dimethyloctyl] octadecanoate
CID 98525173
3,7,11,15-tetramethylhexadecyl octanoate
CID 87585610
2-ethylhexyl 4-methylpentanoate
CID 134988368
dimethyl-[2-(3-methylbutanoyloxy)ethyl]-pentylazanium
CID 123351545
dipropyl 3-ethylpentadecanedioate
CID 87116474

Frequently Asked Questions

What is the IUPAC name of bis[2-(4,8-dimethylnonanoyloxy)ethyl]-dimethylazanium;bis[2-(3-ethyl-7,11-dimethyldodecanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7-methyloctanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7,11,15-trimethylhexadecanoyl)oxyethyl]-dimethylazanium;dimethyl-bis[2-(4,8,12,16-tetramethylheptadecanoyloxy)ethyl]azanium;dimethyl-bis[2-(4,8,12-trimethyltridecanoyloxy)ethyl]azanium?
The IUPAC name of bis[2-(4,8-dimethylnonanoyloxy)ethyl]-dimethylazanium;bis[2-(3-ethyl-7,11-dimethyldodecanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7-methyloctanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7,11,15-trimethylhexadecanoyl)oxyethyl]-dimethylazanium;dimethyl-bis[2-(4,8,12,16-tetramethylheptadecanoyloxy)ethyl]azanium;dimethyl-bis[2-(4,8,12-trimethyltridecanoyloxy)ethyl]azanium (CID 159266938) is bis[2-(4,8-dimethylnonanoyloxy)ethyl]-dimethylazanium;bis[2-(3-ethyl-7,11-dimethyldodecanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7-methyloctanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7,11,15-trimethylhexadecanoyl)oxyethyl]-dimethylazanium;dimethyl-bis[2-(4,8,12,16-tetramethylheptadecanoyloxy)ethyl]azanium;dimethyl-bis[2-(4,8,12-trimethyltridecanoyloxy)ethyl]azanium.
What is the SMILES notation for bis[2-(4,8-dimethylnonanoyloxy)ethyl]-dimethylazanium;bis[2-(3-ethyl-7,11-dimethyldodecanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7-methyloctanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7,11,15-trimethylhexadecanoyl)oxyethyl]-dimethylazanium;dimethyl-bis[2-(4,8,12,16-tetramethylheptadecanoyloxy)ethyl]azanium;dimethyl-bis[2-(4,8,12-trimethyltridecanoyloxy)ethyl]azanium?
The canonical SMILES for bis[2-(4,8-dimethylnonanoyloxy)ethyl]-dimethylazanium;bis[2-(3-ethyl-7,11-dimethyldodecanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7-methyloctanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7,11,15-trimethylhexadecanoyl)oxyethyl]-dimethylazanium;dimethyl-bis[2-(4,8,12,16-tetramethylheptadecanoyloxy)ethyl]azanium;dimethyl-bis[2-(4,8,12-trimethyltridecanoyloxy)ethyl]azanium is CC(C)CCCC(C)CCC(=O)OCC[N+](C)(C)CCOC(=O)CCC(C)CCCC(C)C.CC(C)CCCC(C)CCCC(C)CCC(=O)OCC[N+](C)(C)CCOC(=O)CCC(C)CCCC(C)CCCC(C)C.CC(C)CCCC(C)CCCC(C)CCCC(C)CCC(=O)OCC[N+](C)(C)CCOC(=O)CCC(C)CCCC(C)CCCC(C)CCCC(C)C.CCC(CCCC(C)C)CC(=O)OCC[N+](C)(C)CCOC(=O)CC(CC)CCCC(C)C.CCC(CCCC(C)CCCC(C)C)CC(=O)OCC[N+](C)(C)CCOC(=O)CC(CC)CCCC(C)CCCC(C)C.CCC(CCCC(C)CCCC(C)CCCC(C)C)CC(=O)OCC[N+](C)(C)CCOC(=O)CC(CC)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of bis[2-(4,8-dimethylnonanoyloxy)ethyl]-dimethylazanium;bis[2-(3-ethyl-7,11-dimethyldodecanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7-methyloctanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7,11,15-trimethylhexadecanoyl)oxyethyl]-dimethylazanium;dimethyl-bis[2-(4,8,12,16-tetramethylheptadecanoyloxy)ethyl]azanium;dimethyl-bis[2-(4,8,12-trimethyltridecanoyloxy)ethyl]azanium?
The InChIKey is KXFNYEVVHRLKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H96NO4.2C38H76NO4.2C28H56NO4/c1-39(2)19-13-21-41(5)23-15-25-43(7)27-17-29-45(9)31-33-47(50)52-37-35-49(11,12)36-38-53-48(51)34-32-46(10)30-18-28-44(8)26-16-24-42(6)22-14-20-40(3)4;1-13-45(31-19-29-43(9)27-17-25-41(7)23-15-21-39(3)4)37-47(50)52-35-33-49(11,12)34-36-53-48(51)38-46(14-2)32-20-30-44(10)28-18-26-42(8)24-16-22-40(5)6;1-31(2)15-11-17-33(5)19-13-21-35(7)23-25-37(40)42-29-27-39(9,10)28-30-43-38(41)26-24-36(8)22-14-20-34(6)18-12-16-32(3)4;1-11-35(23-15-21-33(7)19-13-17-31(3)4)29-37(40)42-27-25-39(9,10)26-28-43-38(41)30-36(12-2)24-16-22-34(8)20-14-18-32(5)6;1-23(2)11-9-13-25(5)15-17-27(30)32-21-19-29(7,8)20-22-33-28(31)18-16-26(6)14-10-12-24(3)4;1-9-25(15-11-13-23(3)4)21-27(30)32-19-17-29(7,8)18-20-33-28(31)22-26(10-2)16-12-14-24(5)6/h2*39-46H,13-38H2,1-12H3;2*31-36H,11-30H2,1-10H3;2*23-26H,9-22H2,1-8H3/q6*+1.
What are the key properties of bis[2-(4,8-dimethylnonanoyloxy)ethyl]-dimethylazanium;bis[2-(3-ethyl-7,11-dimethyldodecanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7-methyloctanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7,11,15-trimethylhexadecanoyl)oxyethyl]-dimethylazanium;dimethyl-bis[2-(4,8,12,16-tetramethylheptadecanoyloxy)ethyl]azanium;dimethyl-bis[2-(4,8,12-trimethyltridecanoyloxy)ethyl]azanium?
bis[2-(4,8-dimethylnonanoyloxy)ethyl]-dimethylazanium;bis[2-(3-ethyl-7,11-dimethyldodecanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7-methyloctanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7,11,15-trimethylhexadecanoyl)oxyethyl]-dimethylazanium;dimethyl-bis[2-(4,8,12,16-tetramethylheptadecanoyloxy)ethyl]azanium;dimethyl-bis[2-(4,8,12-trimethyltridecanoyloxy)ethyl]azanium has a molecular weight of 3666.17 g/mol, XLogP of 61.48, 168 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(4,8-dimethylnonanoyloxy)ethyl]-dimethylazanium;bis[2-(3-ethyl-7,11-dimethyldodecanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7-methyloctanoyl)oxyethyl]-dimethylazanium;bis[2-(3-ethyl-7,11,15-trimethylhexadecanoyl)oxyethyl]-dimethylazanium;dimethyl-bis[2-(4,8,12,16-tetramethylheptadecanoyloxy)ethyl]azanium;dimethyl-bis[2-(4,8,12-trimethyltridecanoyloxy)ethyl]azanium is sourced from PubChem (CID 159266938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).