[(4Z,14Z)-8,11-bis[(Z)-hept-3-enyl]octadeca-4,14-dien-9-yl] 5-(dimethylamino)pentanoate;[(Z)-9-hexylicos-14-en-10-yl] 4-(dimethylamino)butanoate;[(6Z,9Z,29Z,32Z)-20-hydroxy-20-[(9Z,12Z)-octadeca-9,12-dienyl]octatriaconta-6,9,29,32-tetraen-19-yl] 5-[ethyl(methyl)amino]pentanoate;2-(2-methoxyethoxy)ethyl N-[2,3-di(tetradecoxy)propyl]carbamate

C172H326N4O13 — CID 159619058

IUPAC[(4Z,14Z)-8,11-bis[(Z)-hept-3-enyl]octadeca-4,14-dien-9-yl] 5-(dimethylamino)pentanoate;[(Z)-9-hexylicos-14-en-10-yl] 4-(dimethylamino)butanoate;[(6Z,9Z,29Z,32Z)-20-hydroxy-20-[(9Z,12Z)-octadeca-9,12-dienyl]octatriaconta-6,9,29,32-tetraen-19-yl] 5-[ethyl(methyl)amino]pentanoate;2-(2-methoxyethoxy)ethyl N-[2,3-di(tetradecoxy)propyl]carbamate
SMILESCCC/C=C\CCC(CC/C=C\CCC)CC(OC(=O)CCCCN(C)C)C(CC/C=C\CCC)CC/C=C\CCC.CCCCC/C=C\C/C=C\CCCCCCCCC(OC(=O)CCCCN(C)CC)C(O)(CCCCCCCC/C=C\C/C=C\CCCCC)CCCCCCCC/C=C\C/C=C\CCCCC.CCCCC/C=C\CCCC(OC(=O)CCCN(C)C)C(CCCCCC)CCCCCCCC.CCCCCCCCCCCCCCOCC(CNC(=O)OCCOCCOC)OCCCCCCCCCCCCCC
InChIInChI=1S/C64H117NO3.C39H71NO2.C37H75NO6.C32H63NO2/c1-6-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-57-62(68-63(66)58-53-56-61-65(5)9-4)64(67,59-54-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-2)60-55-51-48-45-42-39-36-33-30-27-24-21-18-15-12-8-3;1-7-11-15-19-23-29-36(30-24-20-16-12-8-2)35-38(42-39(41)33-27-28-34-40(5)6)37(31-25-21-17-13-9-3)32-26-22-18-14-10-4;1-4-6-8-10-12-14-16-18-20-22-24-26-28-42-35-36(34-38-37(39)44-33-32-41-31-30-40-3)43-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-6-9-12-15-17-18-20-23-27-31(35-32(34)28-24-29-33(4)5)30(25-21-14-11-8-3)26-22-19-16-13-10-7-2/h19-24,28-33,62,67H,6-18,25-27,34-61H2,1-5H3;15-22,36-38H,7-14,23-35H2,1-6H3;36H,4-35H2,1-3H3,(H,38,39);17-18,30-31H,6-16,19-29H2,1-5H3/b22-19-,23-20-,24-21-,31-28-,32-29-,33-30-;19-15-,20-16-,21-17-,22-18-;;18-17-
InChIKeyMNQURRAVVUIUNM-UKFMDATPSA-N
MW2658.51 g/mol
LogP52.22
Rot. Bonds145

About [(4Z,14Z)-8,11-bis[(Z)-hept-3-enyl]octadeca-4,14-dien-9-yl] 5-(dimethylamino)pentanoate;[(Z)-9-hexylicos-14-en-10-yl] 4-(dimethylamino)butanoate;[(6Z,9Z,29Z,32Z)-20-hydroxy-20-[(9Z,12Z)-octadeca-9,12-dienyl]octatriaconta-6,9,29,32-tetraen-19-yl] 5-[ethyl(methyl)amino]pentanoate;2-(2-methoxyethoxy)ethyl N-[2,3-di(tetradecoxy)propyl]carbamate

[(4Z,14Z)-8,11-bis[(Z)-hept-3-enyl]octadeca-4,14-dien-9-yl] 5-(dimethylamino)pentanoate;[(Z)-9-hexylicos-14-en-10-yl] 4-(dimethylamino)butanoate;[(6Z,9Z,29Z,32Z)-20-hydroxy-20-[(9Z,12Z)-octadeca-9,12-dienyl]octatriaconta-6,9,29,32-tetraen-19-yl] 5-[ethyl(methyl)amino]pentanoate;2-(2-methoxyethoxy)ethyl N-[2,3-di(tetradecoxy)propyl]carbamate (PubChem CID 159619058) has the molecular formula C172H326N4O13 and a molecular weight of 2658.51 g/mol. Its IUPAC name is [(4Z,14Z)-8,11-bis[(Z)-hept-3-enyl]octadeca-4,14-dien-9-yl] 5-(dimethylamino)pentanoate;[(Z)-9-hexylicos-14-en-10-yl] 4-(dimethylamino)butanoate;[(6Z,9Z,29Z,32Z)-20-hydroxy-20-[(9Z,12Z)-octadeca-9,12-dienyl]octatriaconta-6,9,29,32-tetraen-19-yl] 5-[ethyl(methyl)amino]pentanoate;2-(2-methoxyethoxy)ethyl N-[2,3-di(tetradecoxy)propyl]carbamate.

Molecular Properties

Compound Name[(4Z,14Z)-8,11-bis[(Z)-hept-3-enyl]octadeca-4,14-dien-9-yl] 5-(dimethylamino)pentanoate;[(Z)-9-hexylicos-14-en-10-yl] 4-(dimethylamino)butanoate;[(6Z,9Z,29Z,32Z)-20-hydroxy-20-[(9Z,12Z)-octadeca-9,12-dienyl]octatriaconta-6,9,29,32-tetraen-19-yl] 5-[ethyl(methyl)amino]pentanoate;2-(2-methoxyethoxy)ethyl N-[2,3-di(tetradecoxy)propyl]carbamate
PubChem CID159619058
Molecular FormulaC172H326N4O13
Molecular Weight2658.51 g/mol
Exact Mass2656.50
IUPAC Name[(4Z,14Z)-8,11-bis[(Z)-hept-3-enyl]octadeca-4,14-dien-9-yl] 5-(dimethylamino)pentanoate;[(Z)-9-hexylicos-14-en-10-yl] 4-(dimethylamino)butanoate;[(6Z,9Z,29Z,32Z)-20-hydroxy-20-[(9Z,12Z)-octadeca-9,12-dienyl]octatriaconta-6,9,29,32-tetraen-19-yl] 5-[ethyl(methyl)amino]pentanoate;2-(2-methoxyethoxy)ethyl N-[2,3-di(tetradecoxy)propyl]carbamate
SMILESCCC/C=C\CCC(CC/C=C\CCC)CC(OC(=O)CCCCN(C)C)C(CC/C=C\CCC)CC/C=C\CCC.CCCCC/C=C\C/C=C\CCCCCCCCC(OC(=O)CCCCN(C)CC)C(O)(CCCCCCCC/C=C\C/C=C\CCCCC)CCCCCCCC/C=C\C/C=C\CCCCC.CCCCC/C=C\CCCC(OC(=O)CCCN(C)C)C(CCCCCC)CCCCCCCC.CCCCCCCCCCCCCCOCC(CNC(=O)OCCOCCOC)OCCCCCCCCCCCCCC
InChIInChI=1S/C64H117NO3.C39H71NO2.C37H75NO6.C32H63NO2/c1-6-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-57-62(68-63(66)58-53-56-61-65(5)9-4)64(67,59-54-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-2)60-55-51-48-45-42-39-36-33-30-27-24-21-18-15-12-8-3;1-7-11-15-19-23-29-36(30-24-20-16-12-8-2)35-38(42-39(41)33-27-28-34-40(5)6)37(31-25-21-17-13-9-3)32-26-22-18-14-10-4;1-4-6-8-10-12-14-16-18-20-22-24-26-28-42-35-36(34-38-37(39)44-33-32-41-31-30-40-3)43-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-6-9-12-15-17-18-20-23-27-31(35-32(34)28-24-29-33(4)5)30(25-21-14-11-8-3)26-22-19-16-13-10-7-2/h19-24,28-33,62,67H,6-18,25-27,34-61H2,1-5H3;15-22,36-38H,7-14,23-35H2,1-6H3;36H,4-35H2,1-3H3,(H,38,39);17-18,30-31H,6-16,19-29H2,1-5H3/b22-19-,23-20-,24-21-,31-28-,32-29-,33-30-;19-15-,20-16-,21-17-,22-18-;;18-17-
InChIKeyMNQURRAVVUIUNM-UKFMDATPSA-N
XLogP52.22
TPSA184.10 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds145
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002658.51
LogP ≤ 552.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

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 [(4Z,14Z)-8,11-bis[(Z)-hept-3-enyl]octadeca-4,14-dien-9-yl] 5-(dimethylamino)pentanoate;[(Z)-9-hexylicos-14-en-10-yl] 4-(dimethylamino)butanoate;[(6Z,9Z,29Z,32Z)-20-hydroxy-20-[(9Z,12Z)-octadeca-9,12-dienyl]octatriaconta-6,9,29,32-tetraen-19-yl] 5-[ethyl(methyl)amino]pentanoate;2-(2-methoxyethoxy)ethyl N-[2,3-di(tetradecoxy)propyl]carbamate with MolForge

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Related Compounds

[(6Z,9Z,29Z,32Z)-20-hydroxy-20-[(9Z,12Z)-octadeca-9,12-dienyl]octatriaconta-6,9,29,32-tetraen-19-yl] 4-(dimethylamino)butanoate
CID 88549177
[(6Z,15Z)-11-[(Z)-dec-4-enyl]docosa-6,15-dien-10-yl] N-[3-(dimethylamino)propyl]carbamate;[(6Z,15Z)-11-[(Z)-dec-4-enyl]henicosa-6,15-dien-10-yl] N-[3-(dimethylamino)propyl]-N-methylcarbamate;[(6Z,16Z)-12-[(Z)-dec-4-enyl]-12-hydroxydocosa-6,16-dien-11-yl] 4-(dimethylamino)butanoate;[(6Z,16Z)-12-[(Z)-dec-4-enyl]-12-hydroxydocosa-6,16-dien-11-yl] 3-(dimethylamino)propanoate;[(6Z,14Z)-11-[(Z)-non-3-enyl]icosa-6,14-dien-10-yl] 4-(dimethylamino)butanoate;[(6Z,14Z)-11-[(Z)-non-3-enyl]icosa-6,14-dien-10-yl] 5-(dimethylamino)pentanoate
CID 165099074
[(12Z,15Z)-1,2-bis[(9Z,12Z)-octadeca-9,12-dienoxy]henicosa-12,15-dien-3-yl] 5-(dimethylamino)pentanoate
CID 88589536
[(Z)-9-octylicos-14-en-10-yl] 6-(dimethylamino)hexanoate
CID 155163843
[2-[[3-[4-[ethyl(methyl)amino]butanoyloxy]-2,2-dimethylundecanoyl]oxymethyl]-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
CID 165008100
1,7-bis(octadeca-9,12-dienoxymethoxy)heptan-4-yl 4-(dimethylamino)butanoate
CID 123442010
[(6Z,9Z,12Z,26Z,29Z,32Z)-octatriaconta-6,9,12,26,29,32-hexaen-19-yl] 5-(dimethylamino)pentanoate
CID 139380835
[(6Z,9Z,26Z,29Z)-pentatriaconta-6,9,26,29-tetraen-18-yl] 4-(dimethylamino)butanoate
CID 166138288
1-O-[2-[4-(dimethylamino)butanoyloxy]-3-[(9E,12E)-octadeca-9,12-dienoyl]oxypropyl] 7-O-heptadecan-9-yl heptanedioate
CID 175901869
bis[(Z)-non-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;methyl (9Z,28Z)-19-[4-(dimethylamino)butanoyloxy]heptatriaconta-9,28-dienoate;methyl (Z)-18-[4-(dimethylamino)-3-[(Z)-18-methoxy-18-oxooctadec-9-enoxy]butoxy]octadec-9-enoate;[(Z)-non-2-enyl] 7-[4-(dimethylamino)-3-[7-[(Z)-non-2-enoxy]-7-oxoheptoxy]butoxy]heptanoate
CID 158543680
bis[(Z)-non-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;methyl (9Z,28Z)-19-[4-(dimethylamino)butanoyloxy]heptatriaconta-9,28-dienoate;methyl (Z)-16-[4-(dimethylamino)-3-[(Z)-octadec-9-enoxy]butoxy]hexadec-8-enoate;[(Z)-non-2-enyl] 7-[4-(dimethylamino)-3-[7-[(Z)-non-2-enoxy]-7-oxoheptoxy]butoxy]heptanoate
CID 162154758
5-[2-(heptadeca-8,11-dienoxymethyl)-3-octadeca-9,12-dienoxypropoxy]-N,N-dimethyl-4-octadeca-9,12-dienoxypentan-1-amine
CID 123895154

Frequently Asked Questions

What is the IUPAC name of [(4Z,14Z)-8,11-bis[(Z)-hept-3-enyl]octadeca-4,14-dien-9-yl] 5-(dimethylamino)pentanoate;[(Z)-9-hexylicos-14-en-10-yl] 4-(dimethylamino)butanoate;[(6Z,9Z,29Z,32Z)-20-hydroxy-20-[(9Z,12Z)-octadeca-9,12-dienyl]octatriaconta-6,9,29,32-tetraen-19-yl] 5-[ethyl(methyl)amino]pentanoate;2-(2-methoxyethoxy)ethyl N-[2,3-di(tetradecoxy)propyl]carbamate?
The IUPAC name of [(4Z,14Z)-8,11-bis[(Z)-hept-3-enyl]octadeca-4,14-dien-9-yl] 5-(dimethylamino)pentanoate;[(Z)-9-hexylicos-14-en-10-yl] 4-(dimethylamino)butanoate;[(6Z,9Z,29Z,32Z)-20-hydroxy-20-[(9Z,12Z)-octadeca-9,12-dienyl]octatriaconta-6,9,29,32-tetraen-19-yl] 5-[ethyl(methyl)amino]pentanoate;2-(2-methoxyethoxy)ethyl N-[2,3-di(tetradecoxy)propyl]carbamate (CID 159619058) is [(4Z,14Z)-8,11-bis[(Z)-hept-3-enyl]octadeca-4,14-dien-9-yl] 5-(dimethylamino)pentanoate;[(Z)-9-hexylicos-14-en-10-yl] 4-(dimethylamino)butanoate;[(6Z,9Z,29Z,32Z)-20-hydroxy-20-[(9Z,12Z)-octadeca-9,12-dienyl]octatriaconta-6,9,29,32-tetraen-19-yl] 5-[ethyl(methyl)amino]pentanoate;2-(2-methoxyethoxy)ethyl N-[2,3-di(tetradecoxy)propyl]carbamate.
What is the SMILES notation for [(4Z,14Z)-8,11-bis[(Z)-hept-3-enyl]octadeca-4,14-dien-9-yl] 5-(dimethylamino)pentanoate;[(Z)-9-hexylicos-14-en-10-yl] 4-(dimethylamino)butanoate;[(6Z,9Z,29Z,32Z)-20-hydroxy-20-[(9Z,12Z)-octadeca-9,12-dienyl]octatriaconta-6,9,29,32-tetraen-19-yl] 5-[ethyl(methyl)amino]pentanoate;2-(2-methoxyethoxy)ethyl N-[2,3-di(tetradecoxy)propyl]carbamate?
The canonical SMILES for [(4Z,14Z)-8,11-bis[(Z)-hept-3-enyl]octadeca-4,14-dien-9-yl] 5-(dimethylamino)pentanoate;[(Z)-9-hexylicos-14-en-10-yl] 4-(dimethylamino)butanoate;[(6Z,9Z,29Z,32Z)-20-hydroxy-20-[(9Z,12Z)-octadeca-9,12-dienyl]octatriaconta-6,9,29,32-tetraen-19-yl] 5-[ethyl(methyl)amino]pentanoate;2-(2-methoxyethoxy)ethyl N-[2,3-di(tetradecoxy)propyl]carbamate is CCC/C=C\CCC(CC/C=C\CCC)CC(OC(=O)CCCCN(C)C)C(CC/C=C\CCC)CC/C=C\CCC.CCCCC/C=C\C/C=C\CCCCCCCCC(OC(=O)CCCCN(C)CC)C(O)(CCCCCCCC/C=C\C/C=C\CCCCC)CCCCCCCC/C=C\C/C=C\CCCCC.CCCCC/C=C\CCCC(OC(=O)CCCN(C)C)C(CCCCCC)CCCCCCCC.CCCCCCCCCCCCCCOCC(CNC(=O)OCCOCCOC)OCCCCCCCCCCCCCC.
What is the InChIKey of [(4Z,14Z)-8,11-bis[(Z)-hept-3-enyl]octadeca-4,14-dien-9-yl] 5-(dimethylamino)pentanoate;[(Z)-9-hexylicos-14-en-10-yl] 4-(dimethylamino)butanoate;[(6Z,9Z,29Z,32Z)-20-hydroxy-20-[(9Z,12Z)-octadeca-9,12-dienyl]octatriaconta-6,9,29,32-tetraen-19-yl] 5-[ethyl(methyl)amino]pentanoate;2-(2-methoxyethoxy)ethyl N-[2,3-di(tetradecoxy)propyl]carbamate?
The InChIKey is MNQURRAVVUIUNM-UKFMDATPSA-N. The full InChI is InChI=1S/C64H117NO3.C39H71NO2.C37H75NO6.C32H63NO2/c1-6-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-57-62(68-63(66)58-53-56-61-65(5)9-4)64(67,59-54-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-2)60-55-51-48-45-42-39-36-33-30-27-24-21-18-15-12-8-3;1-7-11-15-19-23-29-36(30-24-20-16-12-8-2)35-38(42-39(41)33-27-28-34-40(5)6)37(31-25-21-17-13-9-3)32-26-22-18-14-10-4;1-4-6-8-10-12-14-16-18-20-22-24-26-28-42-35-36(34-38-37(39)44-33-32-41-31-30-40-3)43-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-6-9-12-15-17-18-20-23-27-31(35-32(34)28-24-29-33(4)5)30(25-21-14-11-8-3)26-22-19-16-13-10-7-2/h19-24,28-33,62,67H,6-18,25-27,34-61H2,1-5H3;15-22,36-38H,7-14,23-35H2,1-6H3;36H,4-35H2,1-3H3,(H,38,39);17-18,30-31H,6-16,19-29H2,1-5H3/b22-19-,23-20-,24-21-,31-28-,32-29-,33-30-;19-15-,20-16-,21-17-,22-18-;;18-17-.
What are the key properties of [(4Z,14Z)-8,11-bis[(Z)-hept-3-enyl]octadeca-4,14-dien-9-yl] 5-(dimethylamino)pentanoate;[(Z)-9-hexylicos-14-en-10-yl] 4-(dimethylamino)butanoate;[(6Z,9Z,29Z,32Z)-20-hydroxy-20-[(9Z,12Z)-octadeca-9,12-dienyl]octatriaconta-6,9,29,32-tetraen-19-yl] 5-[ethyl(methyl)amino]pentanoate;2-(2-methoxyethoxy)ethyl N-[2,3-di(tetradecoxy)propyl]carbamate?
[(4Z,14Z)-8,11-bis[(Z)-hept-3-enyl]octadeca-4,14-dien-9-yl] 5-(dimethylamino)pentanoate;[(Z)-9-hexylicos-14-en-10-yl] 4-(dimethylamino)butanoate;[(6Z,9Z,29Z,32Z)-20-hydroxy-20-[(9Z,12Z)-octadeca-9,12-dienyl]octatriaconta-6,9,29,32-tetraen-19-yl] 5-[ethyl(methyl)amino]pentanoate;2-(2-methoxyethoxy)ethyl N-[2,3-di(tetradecoxy)propyl]carbamate has a molecular weight of 2658.51 g/mol, XLogP of 52.22, 145 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z,14Z)-8,11-bis[(Z)-hept-3-enyl]octadeca-4,14-dien-9-yl] 5-(dimethylamino)pentanoate;[(Z)-9-hexylicos-14-en-10-yl] 4-(dimethylamino)butanoate;[(6Z,9Z,29Z,32Z)-20-hydroxy-20-[(9Z,12Z)-octadeca-9,12-dienyl]octatriaconta-6,9,29,32-tetraen-19-yl] 5-[ethyl(methyl)amino]pentanoate;2-(2-methoxyethoxy)ethyl N-[2,3-di(tetradecoxy)propyl]carbamate is sourced from PubChem (CID 159619058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).