decan-2-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;dodecan-4-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(4-methyldodecan-4-yloxy)-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(3-methylundecan-3-yloxy)-8-oxooctyl]amino]octanoate;(2-heptylcyclopropyl) 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;methane;undecan-3-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate

C272H548N6O30 — CID 159979478

About decan-2-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;dodecan-4-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(4-methyldodecan-4-yloxy)-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(3-methylundecan-3-yloxy)-8-oxooctyl]amino]octanoate;(2-heptylcyclopropyl) 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;methane;undecan-3-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate

decan-2-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;dodecan-4-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(4-methyldodecan-4-yloxy)-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(3-methylundecan-3-yloxy)-8-oxooctyl]amino]octanoate;(2-heptylcyclopropyl) 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;methane;undecan-3-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate (PubChem CID 159979478) has the molecular formula C272H548N6O30 and a molecular weight of 4383.39 g/mol. Its IUPAC name is decan-2-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;dodecan-4-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(4-methyldodecan-4-yloxy)-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(3-methylundecan-3-yloxy)-8-oxooctyl]amino]octanoate;(2-heptylcyclopropyl) 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;methane;undecan-3-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate.

Molecular Properties

• Compound Name: decan-2-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;dodecan-4-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(4-methyldodecan-4-yloxy)-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(3-methylundecan-3-yloxy)-8-oxooctyl]amino]octanoate;(2-heptylcyclopropyl) 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;methane;undecan-3-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate
• PubChem CID: 159979478
• Molecular Formula: C272H548N6O30
• Molecular Weight: 4383.39 g/mol
• Exact Mass: 4380.15
• IUPAC Name: decan-2-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;dodecan-4-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(4-methyldodecan-4-yloxy)-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(3-methylundecan-3-yloxy)-8-oxooctyl]amino]octanoate;(2-heptylcyclopropyl) 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;methane;undecan-3-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate
• SMILES: C.C.C.C.C.C.CCCCCCCCC(C)OC(=O)CCCCCN(CCO)CCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CC)OC(=O)CCCCCN(CCO)CCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCC)OC(=O)CCCCCN(CCO)CCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(C)(CC)CCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(C)(CCC)CCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC1CC1CCCCCCC
• InChI: InChI=1S/C48H95NO5.C47H93NO5.C45H87NO5.C43H85NO5.C42H83NO5.C41H81NO5.6CH4/c1-6-10-13-16-21-28-35-45(36-29-22-17-14-11-7-2)53-46(51)37-30-23-19-26-33-41-49(43-44-50)42-34-27-20-24-31-38-47(52)54-48(5,39-9-4)40-32-25-18-15-12-8-3;1-6-10-13-16-21-28-35-44(36-29-22-17-14-11-7-2)52-45(50)37-30-23-19-26-33-40-48(42-43-49)41-34-27-20-24-31-38-46(51)53-47(5,9-4)39-32-25-18-15-12-8-3;1-4-7-10-13-18-25-32-42(33-26-19-14-11-8-5-2)50-44(48)34-27-20-15-22-29-36-46(38-39-47)37-30-23-16-21-28-35-45(49)51-43-40-41(43)31-24-17-12-9-6-3;1-5-9-12-15-18-23-31-40(30-8-4)48-42(46)34-26-21-28-36-44(38-39-45)37-29-22-27-35-43(47)49-41(32-24-19-16-13-10-6-2)33-25-20-17-14-11-7-3;1-5-9-12-15-18-23-30-39(8-4)47-41(45)33-26-21-28-35-43(37-38-44)36-29-22-27-34-42(46)48-40(31-24-19-16-13-10-6-2)32-25-20-17-14-11-7-3;1-5-8-11-14-17-22-29-38(4)46-40(44)32-25-20-27-34-42(36-37-43)35-28-21-26-33-41(45)47-39(30-23-18-15-12-9-6-2)31-24-19-16-13-10-7-3;;;;;;/h45,50H,6-44H2,1-5H3;44,49H,6-43H2,1-5H3;41-43,47H,4-40H2,1-3H3;40-41,45H,5-39H2,1-4H3;39-40,44H,5-38H2,1-4H3;38-39,43H,5-37H2,1-4H3;6*1H4
• InChIKey: OFOMRXVYZHDREH-UHFFFAOYSA-N
• XLogP: 80.21
• TPSA: 456.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 239
• Heavy Atoms: 308
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4383.39
LogP ≤ 5	80.21
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of decan-2-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;dodecan-4-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(4-methyldodecan-4-yloxy)-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(3-methylundecan-3-yloxy)-8-oxooctyl]amino]octanoate;(2-heptylcyclopropyl) 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;methane;undecan-3-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate?

The IUPAC name of decan-2-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;dodecan-4-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(4-methyldodecan-4-yloxy)-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(3-methylundecan-3-yloxy)-8-oxooctyl]amino]octanoate;(2-heptylcyclopropyl) 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;methane;undecan-3-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate (CID 159979478) is decan-2-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;dodecan-4-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(4-methyldodecan-4-yloxy)-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(3-methylundecan-3-yloxy)-8-oxooctyl]amino]octanoate;(2-heptylcyclopropyl) 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;methane;undecan-3-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate.

What is the SMILES notation for decan-2-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;dodecan-4-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(4-methyldodecan-4-yloxy)-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(3-methylundecan-3-yloxy)-8-oxooctyl]amino]octanoate;(2-heptylcyclopropyl) 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;methane;undecan-3-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate?

The canonical SMILES for decan-2-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;dodecan-4-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(4-methyldodecan-4-yloxy)-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(3-methylundecan-3-yloxy)-8-oxooctyl]amino]octanoate;(2-heptylcyclopropyl) 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;methane;undecan-3-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate is C.C.C.C.C.C.CCCCCCCCC(C)OC(=O)CCCCCN(CCO)CCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CC)OC(=O)CCCCCN(CCO)CCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCC)OC(=O)CCCCCN(CCO)CCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(C)(CC)CCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(C)(CCC)CCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC1CC1CCCCCCC.

What is the InChIKey of decan-2-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;dodecan-4-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(4-methyldodecan-4-yloxy)-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(3-methylundecan-3-yloxy)-8-oxooctyl]amino]octanoate;(2-heptylcyclopropyl) 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;methane;undecan-3-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate?

The InChIKey is OFOMRXVYZHDREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H95NO5.C47H93NO5.C45H87NO5.C43H85NO5.C42H83NO5.C41H81NO5.6CH4/c1-6-10-13-16-21-28-35-45(36-29-22-17-14-11-7-2)53-46(51)37-30-23-19-26-33-41-49(43-44-50)42-34-27-20-24-31-38-47(52)54-48(5,39-9-4)40-32-25-18-15-12-8-3;1-6-10-13-16-21-28-35-44(36-29-22-17-14-11-7-2)52-45(50)37-30-23-19-26-33-40-48(42-43-49)41-34-27-20-24-31-38-46(51)53-47(5,9-4)39-32-25-18-15-12-8-3;1-4-7-10-13-18-25-32-42(33-26-19-14-11-8-5-2)50-44(48)34-27-20-15-22-29-36-46(38-39-47)37-30-23-16-21-28-35-45(49)51-43-40-41(43)31-24-17-12-9-6-3;1-5-9-12-15-18-23-31-40(30-8-4)48-42(46)34-26-21-28-36-44(38-39-45)37-29-22-27-35-43(47)49-41(32-24-19-16-13-10-6-2)33-25-20-17-14-11-7-3;1-5-9-12-15-18-23-30-39(8-4)47-41(45)33-26-21-28-35-43(37-38-44)36-29-22-27-34-42(46)48-40(31-24-19-16-13-10-6-2)32-25-20-17-14-11-7-3;1-5-8-11-14-17-22-29-38(4)46-40(44)32-25-20-27-34-42(36-37-43)35-28-21-26-33-41(45)47-39(30-23-18-15-12-9-6-2)31-24-19-16-13-10-7-3;;;;;;/h45,50H,6-44H2,1-5H3;44,49H,6-43H2,1-5H3;41-43,47H,4-40H2,1-3H3;40-41,45H,5-39H2,1-4H3;39-40,44H,5-38H2,1-4H3;38-39,43H,5-37H2,1-4H3;6*1H4.

What are the key properties of decan-2-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;dodecan-4-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(4-methyldodecan-4-yloxy)-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(3-methylundecan-3-yloxy)-8-oxooctyl]amino]octanoate;(2-heptylcyclopropyl) 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;methane;undecan-3-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate?

decan-2-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;dodecan-4-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(4-methyldodecan-4-yloxy)-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(3-methylundecan-3-yloxy)-8-oxooctyl]amino]octanoate;(2-heptylcyclopropyl) 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;methane;undecan-3-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate has a molecular weight of 4383.39 g/mol, XLogP of 80.21, 239 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for decan-2-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;dodecan-4-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(4-methyldodecan-4-yloxy)-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(3-methylundecan-3-yloxy)-8-oxooctyl]amino]octanoate;(2-heptylcyclopropyl) 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;methane;undecan-3-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate is sourced from PubChem (CID 159979478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).