decan-2-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;dodecan-4-yl 4-[(4-heptadecan-9-yloxy-4-oxobutyl)-(2-hydroxyethyl)amino]butanoate;ethane;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

C222H439N5O25 — CID 160899210

About decan-2-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;dodecan-4-yl 4-[(4-heptadecan-9-yloxy-4-oxobutyl)-(2-hydroxyethyl)amino]butanoate;ethane;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

decan-2-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;dodecan-4-yl 4-[(4-heptadecan-9-yloxy-4-oxobutyl)-(2-hydroxyethyl)amino]butanoate;ethane;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 (PubChem CID 160899210) has the molecular formula C222H439N5O25 and a molecular weight of 3578.96 g/mol. Its IUPAC name is decan-2-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;dodecan-4-yl 4-[(4-heptadecan-9-yloxy-4-oxobutyl)-(2-hydroxyethyl)amino]butanoate;ethane;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.

Molecular Properties

• Compound Name: decan-2-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;dodecan-4-yl 4-[(4-heptadecan-9-yloxy-4-oxobutyl)-(2-hydroxyethyl)amino]butanoate;ethane;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
• PubChem CID: 160899210
• Molecular Formula: C222H439N5O25
• Molecular Weight: 3578.96 g/mol
• Exact Mass: 3576.32
• IUPAC Name: decan-2-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;dodecan-4-yl 4-[(4-heptadecan-9-yloxy-4-oxobutyl)-(2-hydroxyethyl)amino]butanoate;ethane;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
• SMILES: CC.CCCCCCCCC(C)OC(=O)CCCCCN(CCO)CCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCC)OC(=O)CCCN(CCO)CCCC(=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.C41H81NO5.C39H77NO5.C2H6/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;1-5-8-11-14-17-22-29-38(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;1-5-9-12-15-18-21-27-36(26-8-4)44-38(42)30-24-32-40(34-35-41)33-25-31-39(43)45-37(28-22-19-16-13-10-6-2)29-23-20-17-14-11-7-3;1-2/h45,50H,6-44H2,1-5H3;44,49H,6-43H2,1-5H3;41-43,47H,4-40H2,1-3H3;38-39,43H,5-37H2,1-4H3;36-37,41H,5-35H2,1-4H3;1-2H3
• InChIKey: SPGVNLHMYMWAQC-UHFFFAOYSA-N
• XLogP: 63.97
• TPSA: 380.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 197
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3578.96
LogP ≤ 5	63.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

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 4-[(4-heptadecan-9-yloxy-4-oxobutyl)-(2-hydroxyethyl)amino]butanoate;ethane;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?

The IUPAC name of decan-2-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;dodecan-4-yl 4-[(4-heptadecan-9-yloxy-4-oxobutyl)-(2-hydroxyethyl)amino]butanoate;ethane;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 (CID 160899210) is decan-2-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;dodecan-4-yl 4-[(4-heptadecan-9-yloxy-4-oxobutyl)-(2-hydroxyethyl)amino]butanoate;ethane;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.

What is the SMILES notation for decan-2-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;dodecan-4-yl 4-[(4-heptadecan-9-yloxy-4-oxobutyl)-(2-hydroxyethyl)amino]butanoate;ethane;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?

The canonical SMILES for decan-2-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;dodecan-4-yl 4-[(4-heptadecan-9-yloxy-4-oxobutyl)-(2-hydroxyethyl)amino]butanoate;ethane;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 is CC.CCCCCCCCC(C)OC(=O)CCCCCN(CCO)CCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCC)OC(=O)CCCN(CCO)CCCC(=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 4-[(4-heptadecan-9-yloxy-4-oxobutyl)-(2-hydroxyethyl)amino]butanoate;ethane;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?

The InChIKey is SPGVNLHMYMWAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H95NO5.C47H93NO5.C45H87NO5.C41H81NO5.C39H77NO5.C2H6/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;1-5-8-11-14-17-22-29-38(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;1-5-9-12-15-18-21-27-36(26-8-4)44-38(42)30-24-32-40(34-35-41)33-25-31-39(43)45-37(28-22-19-16-13-10-6-2)29-23-20-17-14-11-7-3;1-2/h45,50H,6-44H2,1-5H3;44,49H,6-43H2,1-5H3;41-43,47H,4-40H2,1-3H3;38-39,43H,5-37H2,1-4H3;36-37,41H,5-35H2,1-4H3;1-2H3.

What are the key properties of decan-2-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;dodecan-4-yl 4-[(4-heptadecan-9-yloxy-4-oxobutyl)-(2-hydroxyethyl)amino]butanoate;ethane;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?

decan-2-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate;dodecan-4-yl 4-[(4-heptadecan-9-yloxy-4-oxobutyl)-(2-hydroxyethyl)amino]butanoate;ethane;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 has a molecular weight of 3578.96 g/mol, XLogP of 63.97, 197 rotatable bonds, 5 hydrogen bond donors, and 30 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 4-[(4-heptadecan-9-yloxy-4-oxobutyl)-(2-hydroxyethyl)amino]butanoate;ethane;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 is sourced from PubChem (CID 160899210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).