decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;9-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]nonyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyloctanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate

C221H438N5O25P — CID 158159750

About decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;9-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]nonyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyloctanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate

decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;9-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]nonyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyloctanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate (PubChem CID 158159750) has the molecular formula C221H438N5O25P and a molecular weight of 3596.92 g/mol. Its IUPAC name is decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;9-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]nonyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyloctanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate.

Molecular Properties

• Compound Name: decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;9-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]nonyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyloctanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate
• PubChem CID: 158159750
• Molecular Formula: C221H438N5O25P
• Molecular Weight: 3596.92 g/mol
• Exact Mass: 3594.29
• IUPAC Name: decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;9-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]nonyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyloctanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate
• SMILES: CCCCC/C=C\C/C=C\CCCCCCCCN(CCO)CCCCCCCC(=O)OCCCCCCCCC.CCCCCCCCC(C)OC(=O)CCCCCCCN(CCO)CCCCCCCCCOC(=O)C(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCC)C(=O)OCCCCCCCCCN(CCO)CCCCCCCCCOC(=O)C(CCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCCCOC(=O)C(CCCCCC)CCCCCC.CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCN(CCO)CCCCCCCC(=O)OC(C)CCCCCCCC
• InChI: InChI=1S/C52H103NO5.C47H93NO5.C43H88NO7P.C42H83NO5.C37H71NO3/c1-5-9-13-17-25-33-41-49(39-31-15-11-7-3)51(55)57-47-37-29-23-19-21-27-35-43-53(45-46-54)44-36-28-22-20-24-30-38-48-58-52(56)50(40-32-16-12-8-4)42-34-26-18-14-10-6-2;1-5-8-11-14-21-28-35-44(4)53-46(50)38-31-24-20-26-33-40-48(41-42-49)39-32-25-18-17-19-27-34-43-52-47(51)45(36-29-22-15-12-9-6-2)37-30-23-16-13-10-7-3;1-5-8-11-14-19-26-33-42(4)51-43(46)34-27-20-17-21-28-35-44(37-38-45)36-29-22-18-25-32-41-50-52(47,48-39-30-23-15-12-9-6-2)49-40-31-24-16-13-10-7-3;1-4-7-10-13-16-22-29-38-47-41(45)33-26-19-18-21-28-35-43(36-37-44)34-27-20-15-14-17-23-30-39-48-42(46)40(31-24-11-8-5-2)32-25-12-9-6-3;1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-24-28-32-38(34-35-39)33-29-25-22-23-27-31-37(40)41-36-30-26-21-10-8-6-4-2/h49-50,54H,5-48H2,1-4H3;44-45,49H,5-43H2,1-4H3;42,45H,5-41H2,1-4H3;40,44H,4-39H2,1-3H3;11-12,14-15,39H,3-10,13,16-36H2,1-2H3/b;;;;12-11-,15-14-
• InChIKey: FWCWXIUXMVHMMM-XVQWMLLOSA-N
• XLogP: 64.81
• TPSA: 372.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 206
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3596.92
LogP ≤ 5	64.81
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;9-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]nonyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyloctanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate?

The IUPAC name of decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;9-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]nonyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyloctanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate (CID 158159750) is decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;9-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]nonyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyloctanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate.

What is the SMILES notation for decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;9-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]nonyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyloctanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate?

The canonical SMILES for decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;9-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]nonyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyloctanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate is CCCCC/C=C\C/C=C\CCCCCCCCN(CCO)CCCCCCCC(=O)OCCCCCCCCC.CCCCCCCCC(C)OC(=O)CCCCCCCN(CCO)CCCCCCCCCOC(=O)C(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCC)C(=O)OCCCCCCCCCN(CCO)CCCCCCCCCOC(=O)C(CCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCCCOC(=O)C(CCCCCC)CCCCCC.CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCN(CCO)CCCCCCCC(=O)OC(C)CCCCCCCC.

What is the InChIKey of decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;9-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]nonyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyloctanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate?

The InChIKey is FWCWXIUXMVHMMM-XVQWMLLOSA-N. The full InChI is InChI=1S/C52H103NO5.C47H93NO5.C43H88NO7P.C42H83NO5.C37H71NO3/c1-5-9-13-17-25-33-41-49(39-31-15-11-7-3)51(55)57-47-37-29-23-19-21-27-35-43-53(45-46-54)44-36-28-22-20-24-30-38-48-58-52(56)50(40-32-16-12-8-4)42-34-26-18-14-10-6-2;1-5-8-11-14-21-28-35-44(4)53-46(50)38-31-24-20-26-33-40-48(41-42-49)39-32-25-18-17-19-27-34-43-52-47(51)45(36-29-22-15-12-9-6-2)37-30-23-16-13-10-7-3;1-5-8-11-14-19-26-33-42(4)51-43(46)34-27-20-17-21-28-35-44(37-38-45)36-29-22-18-25-32-41-50-52(47,48-39-30-23-15-12-9-6-2)49-40-31-24-16-13-10-7-3;1-4-7-10-13-16-22-29-38-47-41(45)33-26-19-18-21-28-35-43(36-37-44)34-27-20-15-14-17-23-30-39-48-42(46)40(31-24-11-8-5-2)32-25-12-9-6-3;1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-24-28-32-38(34-35-39)33-29-25-22-23-27-31-37(40)41-36-30-26-21-10-8-6-4-2/h49-50,54H,5-48H2,1-4H3;44-45,49H,5-43H2,1-4H3;42,45H,5-41H2,1-4H3;40,44H,4-39H2,1-3H3;11-12,14-15,39H,3-10,13,16-36H2,1-2H3/b;;;;12-11-,15-14-.

What are the key properties of decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;9-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]nonyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyloctanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate?

decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;9-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]nonyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyloctanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate has a molecular weight of 3596.92 g/mol, XLogP of 64.81, 206 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;9-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]nonyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyloctanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate is sourced from PubChem (CID 158159750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).