7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[(2-methylpropan-2-yl)oxy]-8-oxooctyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;methane;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(2-hydroxyethoxy)ethyl]amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;nonyl 8-[2-hydroxyethyl(10-octyloctadecyl)amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate

C307H613N7O30 — CID 161480755

IUPAC7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[(2-methylpropan-2-yl)oxy]-8-oxooctyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;methane;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(2-hydroxyethoxy)ethyl]amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;nonyl 8-[2-hydroxyethyl(10-octyloctadecyl)amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate
SMILESC.C.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(C)CCCCCCCCCC(=O)OCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(C)CCCCCCCCCCCC(=O)OCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(C)(C)C.CCCCCCCCCC(=O)OCCCCCCCN(CCO)CCCCCCCOC(=O)C(CCCCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCOCCO.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCC/C=C\C(CCCCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCCCC(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C46H91NO6.C45H91NO3.C45H89NO3.C44H87NO5.2C43H85NO4.C39H77NO5.2CH4/c1-4-7-10-13-16-25-32-41-52-45(49)35-28-21-17-23-30-37-47(39-42-51-43-40-48)38-31-24-18-22-29-36-46(50)53-44(33-26-19-14-11-8-5-2)34-27-20-15-12-9-6-3;2*1-4-7-10-13-19-27-34-43-49-45(48)38-31-24-20-26-33-40-46(41-42-47)39-32-25-18-16-17-23-30-37-44(35-28-21-14-11-8-5-2)36-29-22-15-12-9-6-3;1-4-7-10-13-16-21-28-35-43(47)49-40-31-24-17-22-29-36-45(38-39-46)37-30-23-18-25-32-41-50-44(48)42(33-26-19-14-11-8-5-2)34-27-20-15-12-9-6-3;1-5-8-11-13-21-27-34-41(35-28-22-14-12-9-6-2)48-43(46)37-30-24-20-26-32-39-44(4)38-31-25-19-17-15-16-18-23-29-36-42(45)47-40-33-10-7-3;1-5-8-11-14-20-27-34-41(35-28-21-15-12-9-6-2)48-43(46)37-30-23-19-25-32-39-44(4)38-31-24-18-16-17-22-29-36-42(45)47-40-33-26-13-10-7-3;1-6-8-10-12-16-22-28-36(29-23-17-13-11-9-7-2)44-37(42)30-24-18-14-20-26-32-40(34-35-41)33-27-21-15-19-25-31-38(43)45-39(3,4)5;;/h44,48H,4-43H2,1-3H3;44,47H,4-43H2,1-3H3;30,37,44,47H,4-29,31-36,38-43H2,1-3H3;42,46H,4-41H2,1-3H3;2*41H,5-40H2,1-4H3;36,41H,6-35H2,1-5H3;2*1H4/b;;37-30-;;;;;;
InChIKeyWEHYUXCGKFOXBT-QQOCZOMUSA-N
MW4883.30 g/mol
LogP91.90
Rot. Bonds279

About 7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[(2-methylpropan-2-yl)oxy]-8-oxooctyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;methane;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(2-hydroxyethoxy)ethyl]amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;nonyl 8-[2-hydroxyethyl(10-octyloctadecyl)amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate

7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[(2-methylpropan-2-yl)oxy]-8-oxooctyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;methane;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(2-hydroxyethoxy)ethyl]amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;nonyl 8-[2-hydroxyethyl(10-octyloctadecyl)amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate (PubChem CID 161480755) has the molecular formula C307H613N7O30 and a molecular weight of 4883.30 g/mol. Its IUPAC name is 7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[(2-methylpropan-2-yl)oxy]-8-oxooctyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;methane;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(2-hydroxyethoxy)ethyl]amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;nonyl 8-[2-hydroxyethyl(10-octyloctadecyl)amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate.

Molecular Properties

Compound Name7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[(2-methylpropan-2-yl)oxy]-8-oxooctyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;methane;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(2-hydroxyethoxy)ethyl]amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;nonyl 8-[2-hydroxyethyl(10-octyloctadecyl)amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate
PubChem CID161480755
Molecular FormulaC307H613N7O30
Molecular Weight4883.30 g/mol
Exact Mass4879.67
IUPAC Name7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[(2-methylpropan-2-yl)oxy]-8-oxooctyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;methane;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(2-hydroxyethoxy)ethyl]amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;nonyl 8-[2-hydroxyethyl(10-octyloctadecyl)amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate
SMILESC.C.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(C)CCCCCCCCCC(=O)OCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(C)CCCCCCCCCCCC(=O)OCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(C)(C)C.CCCCCCCCCC(=O)OCCCCCCCN(CCO)CCCCCCCOC(=O)C(CCCCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCOCCO.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCC/C=C\C(CCCCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCCCC(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C46H91NO6.C45H91NO3.C45H89NO3.C44H87NO5.2C43H85NO4.C39H77NO5.2CH4/c1-4-7-10-13-16-25-32-41-52-45(49)35-28-21-17-23-30-37-47(39-42-51-43-40-48)38-31-24-18-22-29-36-46(50)53-44(33-26-19-14-11-8-5-2)34-27-20-15-12-9-6-3;2*1-4-7-10-13-19-27-34-43-49-45(48)38-31-24-20-26-33-40-46(41-42-47)39-32-25-18-16-17-23-30-37-44(35-28-21-14-11-8-5-2)36-29-22-15-12-9-6-3;1-4-7-10-13-16-21-28-35-43(47)49-40-31-24-17-22-29-36-45(38-39-46)37-30-23-18-25-32-41-50-44(48)42(33-26-19-14-11-8-5-2)34-27-20-15-12-9-6-3;1-5-8-11-13-21-27-34-41(35-28-22-14-12-9-6-2)48-43(46)37-30-24-20-26-32-39-44(4)38-31-25-19-17-15-16-18-23-29-36-42(45)47-40-33-10-7-3;1-5-8-11-14-20-27-34-41(35-28-21-15-12-9-6-2)48-43(46)37-30-23-19-25-32-39-44(4)38-31-24-18-16-17-22-29-36-42(45)47-40-33-26-13-10-7-3;1-6-8-10-12-16-22-28-36(29-23-17-13-11-9-7-2)44-37(42)30-24-18-14-20-26-32-40(34-35-41)33-27-21-15-19-25-31-38(43)45-39(3,4)5;;/h44,48H,4-43H2,1-3H3;44,47H,4-43H2,1-3H3;30,37,44,47H,4-29,31-36,38-43H2,1-3H3;42,46H,4-41H2,1-3H3;2*41H,5-40H2,1-4H3;36,41H,6-35H2,1-5H3;2*1H4/b;;37-30-;;;;;;
InChIKeyWEHYUXCGKFOXBT-QQOCZOMUSA-N
XLogP91.90
TPSA448.66 Ų
H-Bond Donors5
H-Bond Acceptors37
Rotatable Bonds279
Heavy Atoms344
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004883.30
LogP ≤ 591.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1037

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'}

Analyze 7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[(2-methylpropan-2-yl)oxy]-8-oxooctyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;methane;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(2-hydroxyethoxy)ethyl]amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;nonyl 8-[2-hydroxyethyl(10-octyloctadecyl)amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate with MolForge

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Launch Full Analysis

Related Compounds

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
7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[6-[methyl(octyl)amino]-6-oxohexyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;2-methoxynonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate;tridecan-7-yl 10-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]decanoate
CID 158987461
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
octyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate
CID 167389190
7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;2-methoxynonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;pentyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;tridecan-7-yl 10-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]decanoate
CID 158711686
7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;2-methoxynonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate;tridecan-7-yl 10-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]decanoate
CID 159516272
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
hexyl 10-[(10-dodecan-6-yloxy-10-oxodecyl)-(2-hydroxyethyl)amino]decanoate
CID 167389121
nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate
CID 126697428
heptyl 8-[(7-heptadecan-9-yloxy-7-oxoheptyl)-(2-hydroxyethyl)amino]octanoate
CID 163297074
heptadecan-9-yl 8-[2-hydroxyethyl-(7-nonoxy-7-oxoheptyl)amino]octanoate
CID 163297077
undecyl 8-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]octanoate
CID 163297075

Frequently Asked Questions

What is the IUPAC name of 7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[(2-methylpropan-2-yl)oxy]-8-oxooctyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;methane;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(2-hydroxyethoxy)ethyl]amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;nonyl 8-[2-hydroxyethyl(10-octyloctadecyl)amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate?
The IUPAC name of 7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[(2-methylpropan-2-yl)oxy]-8-oxooctyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;methane;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(2-hydroxyethoxy)ethyl]amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;nonyl 8-[2-hydroxyethyl(10-octyloctadecyl)amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate (CID 161480755) is 7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[(2-methylpropan-2-yl)oxy]-8-oxooctyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;methane;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(2-hydroxyethoxy)ethyl]amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;nonyl 8-[2-hydroxyethyl(10-octyloctadecyl)amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate.
What is the SMILES notation for 7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[(2-methylpropan-2-yl)oxy]-8-oxooctyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;methane;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(2-hydroxyethoxy)ethyl]amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;nonyl 8-[2-hydroxyethyl(10-octyloctadecyl)amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate?
The canonical SMILES for 7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[(2-methylpropan-2-yl)oxy]-8-oxooctyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;methane;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(2-hydroxyethoxy)ethyl]amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;nonyl 8-[2-hydroxyethyl(10-octyloctadecyl)amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate is C.C.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(C)CCCCCCCCCC(=O)OCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(C)CCCCCCCCCCCC(=O)OCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(C)(C)C.CCCCCCCCCC(=O)OCCCCCCCN(CCO)CCCCCCCOC(=O)C(CCCCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCOCCO.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCC/C=C\C(CCCCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCCCC(CCCCCCCC)CCCCCCCC.
What is the InChIKey of 7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[(2-methylpropan-2-yl)oxy]-8-oxooctyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;methane;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(2-hydroxyethoxy)ethyl]amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;nonyl 8-[2-hydroxyethyl(10-octyloctadecyl)amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate?
The InChIKey is WEHYUXCGKFOXBT-QQOCZOMUSA-N. The full InChI is InChI=1S/C46H91NO6.C45H91NO3.C45H89NO3.C44H87NO5.2C43H85NO4.C39H77NO5.2CH4/c1-4-7-10-13-16-25-32-41-52-45(49)35-28-21-17-23-30-37-47(39-42-51-43-40-48)38-31-24-18-22-29-36-46(50)53-44(33-26-19-14-11-8-5-2)34-27-20-15-12-9-6-3;2*1-4-7-10-13-19-27-34-43-49-45(48)38-31-24-20-26-33-40-46(41-42-47)39-32-25-18-16-17-23-30-37-44(35-28-21-14-11-8-5-2)36-29-22-15-12-9-6-3;1-4-7-10-13-16-21-28-35-43(47)49-40-31-24-17-22-29-36-45(38-39-46)37-30-23-18-25-32-41-50-44(48)42(33-26-19-14-11-8-5-2)34-27-20-15-12-9-6-3;1-5-8-11-13-21-27-34-41(35-28-22-14-12-9-6-2)48-43(46)37-30-24-20-26-32-39-44(4)38-31-25-19-17-15-16-18-23-29-36-42(45)47-40-33-10-7-3;1-5-8-11-14-20-27-34-41(35-28-21-15-12-9-6-2)48-43(46)37-30-23-19-25-32-39-44(4)38-31-24-18-16-17-22-29-36-42(45)47-40-33-26-13-10-7-3;1-6-8-10-12-16-22-28-36(29-23-17-13-11-9-7-2)44-37(42)30-24-18-14-20-26-32-40(34-35-41)33-27-21-15-19-25-31-38(43)45-39(3,4)5;;/h44,48H,4-43H2,1-3H3;44,47H,4-43H2,1-3H3;30,37,44,47H,4-29,31-36,38-43H2,1-3H3;42,46H,4-41H2,1-3H3;2*41H,5-40H2,1-4H3;36,41H,6-35H2,1-5H3;2*1H4/b;;37-30-;;;;;;.
What are the key properties of 7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[(2-methylpropan-2-yl)oxy]-8-oxooctyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;methane;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(2-hydroxyethoxy)ethyl]amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;nonyl 8-[2-hydroxyethyl(10-octyloctadecyl)amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate?
7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[(2-methylpropan-2-yl)oxy]-8-oxooctyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;methane;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(2-hydroxyethoxy)ethyl]amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;nonyl 8-[2-hydroxyethyl(10-octyloctadecyl)amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate has a molecular weight of 4883.30 g/mol, XLogP of 91.90, 279 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[(2-methylpropan-2-yl)oxy]-8-oxooctyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;methane;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(2-hydroxyethoxy)ethyl]amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;nonyl 8-[2-hydroxyethyl(10-octyloctadecyl)amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate is sourced from PubChem (CID 161480755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).