decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;7-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyldecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate

C313H627N9O37P2 — CID 159945272

About decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;7-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyldecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate

decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;7-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyldecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate (PubChem CID 159945272) has the molecular formula C313H627N9O37P2 and a molecular weight of 5171.43 g/mol. Its IUPAC name is decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;7-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyldecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate.

Molecular Properties

• Compound Name: decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;7-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyldecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate
• PubChem CID: 159945272
• Molecular Formula: C313H627N9O37P2
• Molecular Weight: 5171.43 g/mol
• Exact Mass: 5167.69
• IUPAC Name: decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;7-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyldecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate
• SMILES: CCCCCCCCC(C)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)N(CCCCCCCC)CCCCCCCC.CCCCCCCCC(C)OC(=O)CCCCCCCN(CCO)CCCCCCCOC(=O)C(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCC)C(=O)OCCCCCCCCCN(CCO)CCCCCCCCCOC(=O)C(CCCCCC)CCCCCCCC.CCCCCCCCCCCOC(=O)CCCCCN(CCO)CCCCCCCC(=O)N(CCCCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCCCOC(=O)C(CCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC.CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCN(CCO)CCCCCCCC(=O)OC(C)CCCCCCCC
• InChI: InChI=1S/C52H103NO5.C45H89NO5.C44H88N2O4.C44H87NO5.C43H86N2O4.C43H88NO7P.C42H86NO7P/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;1-5-8-11-14-19-26-33-42(4)51-44(48)36-29-22-17-23-30-37-46(39-40-47)38-31-24-18-25-32-41-50-45(49)43(34-27-20-15-12-9-6-2)35-28-21-16-13-10-7-3;1-5-8-11-14-19-26-33-42(4)50-44(49)35-28-21-18-23-30-37-45(40-41-47)36-29-22-17-20-27-34-43(48)46(38-31-24-15-12-9-6-2)39-32-25-16-13-10-7-3;1-4-7-10-13-17-24-31-40-49-43(47)35-28-21-19-23-30-37-45(38-39-46)36-29-22-16-15-18-25-32-41-50-44(48)42(33-26-12-9-6-3)34-27-20-14-11-8-5-2;1-4-7-10-13-16-17-18-24-32-41-49-43(48)34-27-25-29-36-44(39-40-46)35-28-21-19-20-26-33-42(47)45(37-30-22-14-11-8-5-2)38-31-23-15-12-9-6-3;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;1-4-7-10-13-16-22-29-38-47-42(45)33-26-19-17-20-27-34-43(36-37-44)35-28-21-18-25-32-41-50-51(46,48-39-30-23-14-11-8-5-2)49-40-31-24-15-12-9-6-3/h49-50,54H,5-48H2,1-4H3;42-43,47H,5-41H2,1-4H3;42,47H,5-41H2,1-4H3;42,46H,4-41H2,1-3H3;46H,4-41H2,1-3H3;42,45H,5-41H2,1-4H3;44H,4-41H2,1-3H3
• InChIKey: OBKBFIQXKXQESG-UHFFFAOYSA-N
• XLogP: 90.82
• TPSA: 557.43 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 44
• Rotatable Bonds: 296
• Heavy Atoms: 361
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5171.43
LogP ≤ 5	90.82
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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;decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;7-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyldecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate?

The IUPAC name of decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;7-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyldecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate (CID 159945272) is decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;7-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyldecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate.

What is the SMILES notation for decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;7-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyldecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate?

The canonical SMILES for decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;7-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyldecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate is CCCCCCCCC(C)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)N(CCCCCCCC)CCCCCCCC.CCCCCCCCC(C)OC(=O)CCCCCCCN(CCO)CCCCCCCOC(=O)C(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCC)C(=O)OCCCCCCCCCN(CCO)CCCCCCCCCOC(=O)C(CCCCCC)CCCCCCCC.CCCCCCCCCCCOC(=O)CCCCCN(CCO)CCCCCCCC(=O)N(CCCCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCCCOC(=O)C(CCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC.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;decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;7-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyldecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate?

The InChIKey is OBKBFIQXKXQESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H103NO5.C45H89NO5.C44H88N2O4.C44H87NO5.C43H86N2O4.C43H88NO7P.C42H86NO7P/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;1-5-8-11-14-19-26-33-42(4)51-44(48)36-29-22-17-23-30-37-46(39-40-47)38-31-24-18-25-32-41-50-45(49)43(34-27-20-15-12-9-6-2)35-28-21-16-13-10-7-3;1-5-8-11-14-19-26-33-42(4)50-44(49)35-28-21-18-23-30-37-45(40-41-47)36-29-22-17-20-27-34-43(48)46(38-31-24-15-12-9-6-2)39-32-25-16-13-10-7-3;1-4-7-10-13-17-24-31-40-49-43(47)35-28-21-19-23-30-37-45(38-39-46)36-29-22-16-15-18-25-32-41-50-44(48)42(33-26-12-9-6-3)34-27-20-14-11-8-5-2;1-4-7-10-13-16-17-18-24-32-41-49-43(48)34-27-25-29-36-44(39-40-46)35-28-21-19-20-26-33-42(47)45(37-30-22-14-11-8-5-2)38-31-23-15-12-9-6-3;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;1-4-7-10-13-16-22-29-38-47-42(45)33-26-19-17-20-27-34-43(36-37-44)35-28-21-18-25-32-41-50-51(46,48-39-30-23-14-11-8-5-2)49-40-31-24-15-12-9-6-3/h49-50,54H,5-48H2,1-4H3;42-43,47H,5-41H2,1-4H3;42,47H,5-41H2,1-4H3;42,46H,4-41H2,1-3H3;46H,4-41H2,1-3H3;42,45H,5-41H2,1-4H3;44H,4-41H2,1-3H3.

What are the key properties of decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;7-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyldecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate?

decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;7-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyldecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate has a molecular weight of 5171.43 g/mol, XLogP of 90.82, 296 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;7-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyldecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate is sourced from PubChem (CID 159945272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).