decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(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;methyl 12-[dodecyl(2-hydroxyethyl)amino]dodecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate

C290H579N7O35P2 — CID 160549113

IUPACdecan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(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;methyl 12-[dodecyl(2-hydroxyethyl)amino]dodecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate
SMILESCCCCC/C=C\C/C=C\CCCCCCCCN(CCO)CCCCCCCC(=O)OCCCCCCCCC.CCCCCCCCC(C)OC(=O)CCCCCCCN(CCO)CCCCCCCOC(=O)C(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCC)C(=O)OCCCCCCCCCN(CCO)CCCCCCCCCOC(=O)C(CCCCCC)CCCCCCCC.CCCCCCCCCCCCN(CCO)CCCCCCCCCCCC(=O)OC.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
InChIInChI=1S/C52H103NO5.C45H89NO5.C44H87NO5.C43H88NO7P.C42H86NO7P.C37H71NO3.C27H55NO3/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;1-4-7-10-13-17-24-31-40-49-43(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;1-5-8-11-14-19-26-33-42(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;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;1-3-4-5-6-7-8-11-14-17-20-23-28(25-26-29)24-21-18-15-12-9-10-13-16-19-22-27(30)31-2/h49-50,54H,5-48H2,1-4H3;42-43,47H,5-41H2,1-4H3;42,46H,4-41H2,1-3H3;42,45H,5-41H2,1-4H3;44H,4-41H2,1-3H3;11-12,14-15,39H,3-10,13,16-36H2,1-2H3;29H,3-26H2,1-2H3/b;;;;;12-11-,15-14-;
InChIKeyQXUZLUUFZMJWIV-KLTGJKIHSA-N
MW4786.78 g/mol
LogP84.83
Rot. Bonds274

About decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(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;methyl 12-[dodecyl(2-hydroxyethyl)amino]dodecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate

decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(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;methyl 12-[dodecyl(2-hydroxyethyl)amino]dodecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate (PubChem CID 160549113) has the molecular formula C290H579N7O35P2 and a molecular weight of 4786.78 g/mol. Its IUPAC name is decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(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;methyl 12-[dodecyl(2-hydroxyethyl)amino]dodecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate.

Molecular Properties

Compound Namedecan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(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;methyl 12-[dodecyl(2-hydroxyethyl)amino]dodecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate
PubChem CID160549113
Molecular FormulaC290H579N7O35P2
Molecular Weight4786.78 g/mol
Exact Mass4783.32
IUPAC Namedecan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(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;methyl 12-[dodecyl(2-hydroxyethyl)amino]dodecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate
SMILESCCCCC/C=C\C/C=C\CCCCCCCCN(CCO)CCCCCCCC(=O)OCCCCCCCCC.CCCCCCCCC(C)OC(=O)CCCCCCCN(CCO)CCCCCCCOC(=O)C(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCC)C(=O)OCCCCCCCCCN(CCO)CCCCCCCCCOC(=O)C(CCCCCC)CCCCCCCC.CCCCCCCCCCCCN(CCO)CCCCCCCCCCCC(=O)OC.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
InChIInChI=1S/C52H103NO5.C45H89NO5.C44H87NO5.C43H88NO7P.C42H86NO7P.C37H71NO3.C27H55NO3/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;1-4-7-10-13-17-24-31-40-49-43(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;1-5-8-11-14-19-26-33-42(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;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;1-3-4-5-6-7-8-11-14-17-20-23-28(25-26-29)24-21-18-15-12-9-10-13-16-19-22-27(30)31-2/h49-50,54H,5-48H2,1-4H3;42-43,47H,5-41H2,1-4H3;42,46H,4-41H2,1-3H3;42,45H,5-41H2,1-4H3;44H,4-41H2,1-3H3;11-12,14-15,39H,3-10,13,16-36H2,1-2H3;29H,3-26H2,1-2H3/b;;;;;12-11-,15-14-;
InChIKeyQXUZLUUFZMJWIV-KLTGJKIHSA-N
XLogP84.83
TPSA516.81 Ų
H-Bond Donors7
H-Bond Acceptors42
Rotatable Bonds274
Heavy Atoms334
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004786.78
LogP ≤ 584.83
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1042

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'}

Analyze decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(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;methyl 12-[dodecyl(2-hydroxyethyl)amino]dodecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate with MolForge

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Related Compounds

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
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
heptadecan-9-yl 8-[2-hydroxyethyl-[(Z)-octadec-9-enyl]amino]octanoate;7-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]heptyl 2-octyldecanoate;nonyl 8-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[(8-dodecan-4-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-pentadecan-7-yloxyoctyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-tetradecan-6-yloxyoctyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-undecan-3-yloxyoctyl)amino]octanoate
CID 157235782
7-[7-hexanoyloxyoctyl(2-hydroxyethyl)amino]heptyl 2-heptyldecanoate
CID 167418919
heptadecan-9-yl 8-[2-hydroxyethyl-[(Z)-octadec-9-enyl]amino]octanoate;7-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]heptyl 2-octyldecanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-pentadecan-7-yloxyoctyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-tetradecan-6-yloxyoctyl)amino]octanoate
CID 162144335
heptadecan-9-yl 8-[2-hydroxyethyl-[(Z)-octadec-9-enyl]amino]octanoate;7-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]heptyl 2-octyldecanoate;nonyl 8-[(8-dodecan-4-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-pentadecan-7-yloxyoctyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-tetradecan-6-yloxyoctyl)amino]octanoate
CID 157420376
10-[2-hydroxyethyl-[10-[10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decanoyloxy]decyl]amino]decyl 10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decanoate
CID 167224204
10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-hydroxyethyl-[10-[10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decoxy]-10-oxodecyl]amino]decanoate
CID 171586109
7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate
CID 126697497
7-[2-hydroxyethyl-(8-octoxy-8-oxooctyl)amino]heptyl 2-octyldecanoate
CID 146564455
4-[4-decanoyloxybutyl(2-hydroxyethyl)amino]butyl 2-hexyldecanoate
CID 166170755
10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-aminoethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decanoate
CID 171586173

Frequently Asked Questions

What is the IUPAC name of decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(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;methyl 12-[dodecyl(2-hydroxyethyl)amino]dodecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;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;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;methyl 12-[dodecyl(2-hydroxyethyl)amino]dodecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate (CID 160549113) is decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(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;methyl 12-[dodecyl(2-hydroxyethyl)amino]dodecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;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;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;methyl 12-[dodecyl(2-hydroxyethyl)amino]dodecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;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;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;methyl 12-[dodecyl(2-hydroxyethyl)amino]dodecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;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)CCCCCCCOC(=O)C(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCC)C(=O)OCCCCCCCCCN(CCO)CCCCCCCCCOC(=O)C(CCCCCC)CCCCCCCC.CCCCCCCCCCCCN(CCO)CCCCCCCCCCCC(=O)OC.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;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;methyl 12-[dodecyl(2-hydroxyethyl)amino]dodecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate?
The InChIKey is QXUZLUUFZMJWIV-KLTGJKIHSA-N. The full InChI is InChI=1S/C52H103NO5.C45H89NO5.C44H87NO5.C43H88NO7P.C42H86NO7P.C37H71NO3.C27H55NO3/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;1-4-7-10-13-17-24-31-40-49-43(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;1-5-8-11-14-19-26-33-42(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;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;1-3-4-5-6-7-8-11-14-17-20-23-28(25-26-29)24-21-18-15-12-9-10-13-16-19-22-27(30)31-2/h49-50,54H,5-48H2,1-4H3;42-43,47H,5-41H2,1-4H3;42,46H,4-41H2,1-3H3;42,45H,5-41H2,1-4H3;44H,4-41H2,1-3H3;11-12,14-15,39H,3-10,13,16-36H2,1-2H3;29H,3-26H2,1-2H3/b;;;;;12-11-,15-14-;.
What are the key properties of decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(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;methyl 12-[dodecyl(2-hydroxyethyl)amino]dodecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate?
decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(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;methyl 12-[dodecyl(2-hydroxyethyl)amino]dodecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate has a molecular weight of 4786.78 g/mol, XLogP of 84.83, 274 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(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;methyl 12-[dodecyl(2-hydroxyethyl)amino]dodecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate is sourced from PubChem (CID 160549113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).