[2-[4,4-bis[(Z)-dec-4-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(Z)-dec-4-enoxy]butanoate;[2-[4,4-bis[(E)-non-2-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(E)-non-2-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[3-(diethylamino)propoxycarbonyloxy]propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-(4-pyrrolidin-1-ylbutanoyloxy)propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate

C222H394N4O43 — CID 167707517

IUPAC[2-[4,4-bis[(Z)-dec-4-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(Z)-dec-4-enoxy]butanoate;[2-[4,4-bis[(E)-non-2-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(E)-non-2-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[3-(diethylamino)propoxycarbonyloxy]propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-(4-pyrrolidin-1-ylbutanoyloxy)propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate
SMILESCC/C=C\CCCCOC(CCC(=O)OCC(COC(=O)CCC(OCCCC/C=C\CC)OCCCC/C=C\CC)COC(=O)OCCCN(CC)CC)OCCCC/C=C\CC.CC/C=C\CCCCOC(CCC(=O)OCC(COC(=O)CCCN1CCCC1)COC(=O)CCC(OCCCC/C=C\CC)OCCCC/C=C\CC)OCCCC/C=C\CC.CCCCC/C=C\CCCOC(CCC(=O)OCC(COC(=O)CCC(OCCC/C=C\CCCCC)OCCC/C=C\CCCCC)COC(=O)OCC1CCCN(CC)C1)OCCC/C=C\CCCCC.CCCCCC/C=C/COC(CCC(=O)OCC(COC(=O)CCC(OC/C=C/CCCCCC)OC/C=C/CCCCCC)COC(=O)OCC1CCCN(CC)C1)OC/C=C/CCCCCC
InChIInChI=1S/C61H109NO11.C57H101NO11.C52H93NO11.C52H91NO10/c1-6-11-15-19-23-27-31-35-46-66-59(67-47-36-32-28-24-20-16-12-7-2)43-41-57(63)70-52-56(54-73-61(65)72-51-55-40-39-45-62(10-5)50-55)53-71-58(64)42-44-60(68-48-37-33-29-25-21-17-13-8-3)69-49-38-34-30-26-22-18-14-9-4;1-6-11-15-19-23-27-31-42-62-55(63-43-32-28-24-20-16-12-7-2)39-37-53(59)66-48-52(50-69-57(61)68-47-51-36-35-41-58(10-5)46-51)49-67-54(60)38-40-56(64-44-33-29-25-21-17-13-8-3)65-45-34-30-26-22-18-14-9-4;1-7-13-17-21-25-29-39-57-50(58-40-30-26-22-18-14-8-2)36-34-48(54)62-44-47(46-64-52(56)61-43-33-38-53(11-5)12-6)45-63-49(55)35-37-51(59-41-31-27-23-19-15-9-3)60-42-32-28-24-20-16-10-4;1-5-9-13-17-21-27-40-57-51(58-41-28-22-18-14-10-6-2)35-33-49(55)62-45-47(44-61-48(54)32-31-39-53-37-25-26-38-53)46-63-50(56)34-36-52(59-42-29-23-19-15-11-7-3)60-43-30-24-20-16-12-8-4/h23-30,55-56,59-60H,6-22,31-54H2,1-5H3;27-34,51-52,55-56H,6-26,35-50H2,1-5H3;13-20,47,50-51H,7-12,21-46H2,1-6H3;9-16,47,51-52H,5-8,17-46H2,1-4H3/b27-23-,28-24-,29-25-,30-26-;31-27+,32-28+,33-29+,34-30+;17-13-,18-14-,19-15-,20-16-;13-9-,14-10-,15-11-,16-12-
InChIKeyZIBPYXQSVXFXBN-UPKMLVNWSA-N
MW3807.58 g/mol
LogP53.81
Rot. Bonds188

About [2-[4,4-bis[(Z)-dec-4-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(Z)-dec-4-enoxy]butanoate;[2-[4,4-bis[(E)-non-2-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(E)-non-2-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[3-(diethylamino)propoxycarbonyloxy]propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-(4-pyrrolidin-1-ylbutanoyloxy)propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate

[2-[4,4-bis[(Z)-dec-4-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(Z)-dec-4-enoxy]butanoate;[2-[4,4-bis[(E)-non-2-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(E)-non-2-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[3-(diethylamino)propoxycarbonyloxy]propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-(4-pyrrolidin-1-ylbutanoyloxy)propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate (PubChem CID 167707517) has the molecular formula C222H394N4O43 and a molecular weight of 3807.58 g/mol. Its IUPAC name is [2-[4,4-bis[(Z)-dec-4-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(Z)-dec-4-enoxy]butanoate;[2-[4,4-bis[(E)-non-2-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(E)-non-2-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[3-(diethylamino)propoxycarbonyloxy]propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-(4-pyrrolidin-1-ylbutanoyloxy)propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate.

Molecular Properties

Compound Name[2-[4,4-bis[(Z)-dec-4-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(Z)-dec-4-enoxy]butanoate;[2-[4,4-bis[(E)-non-2-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(E)-non-2-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[3-(diethylamino)propoxycarbonyloxy]propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-(4-pyrrolidin-1-ylbutanoyloxy)propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate
PubChem CID167707517
Molecular FormulaC222H394N4O43
Molecular Weight3807.58 g/mol
Exact Mass3804.88
IUPAC Name[2-[4,4-bis[(Z)-dec-4-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(Z)-dec-4-enoxy]butanoate;[2-[4,4-bis[(E)-non-2-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(E)-non-2-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[3-(diethylamino)propoxycarbonyloxy]propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-(4-pyrrolidin-1-ylbutanoyloxy)propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate
SMILESCC/C=C\CCCCOC(CCC(=O)OCC(COC(=O)CCC(OCCCC/C=C\CC)OCCCC/C=C\CC)COC(=O)OCCCN(CC)CC)OCCCC/C=C\CC.CC/C=C\CCCCOC(CCC(=O)OCC(COC(=O)CCCN1CCCC1)COC(=O)CCC(OCCCC/C=C\CC)OCCCC/C=C\CC)OCCCC/C=C\CC.CCCCC/C=C\CCCOC(CCC(=O)OCC(COC(=O)CCC(OCCC/C=C\CCCCC)OCCC/C=C\CCCCC)COC(=O)OCC1CCCN(CC)C1)OCCC/C=C\CCCCC.CCCCCC/C=C/COC(CCC(=O)OCC(COC(=O)CCC(OC/C=C/CCCCCC)OC/C=C/CCCCCC)COC(=O)OCC1CCCN(CC)C1)OC/C=C/CCCCCC
InChIInChI=1S/C61H109NO11.C57H101NO11.C52H93NO11.C52H91NO10/c1-6-11-15-19-23-27-31-35-46-66-59(67-47-36-32-28-24-20-16-12-7-2)43-41-57(63)70-52-56(54-73-61(65)72-51-55-40-39-45-62(10-5)50-55)53-71-58(64)42-44-60(68-48-37-33-29-25-21-17-13-8-3)69-49-38-34-30-26-22-18-14-9-4;1-6-11-15-19-23-27-31-42-62-55(63-43-32-28-24-20-16-12-7-2)39-37-53(59)66-48-52(50-69-57(61)68-47-51-36-35-41-58(10-5)46-51)49-67-54(60)38-40-56(64-44-33-29-25-21-17-13-8-3)65-45-34-30-26-22-18-14-9-4;1-7-13-17-21-25-29-39-57-50(58-40-30-26-22-18-14-8-2)36-34-48(54)62-44-47(46-64-52(56)61-43-33-38-53(11-5)12-6)45-63-49(55)35-37-51(59-41-31-27-23-19-15-9-3)60-42-32-28-24-20-16-10-4;1-5-9-13-17-21-27-40-57-51(58-41-28-22-18-14-10-6-2)35-33-49(55)62-45-47(44-61-48(54)32-31-39-53-37-25-26-38-53)46-63-50(56)34-36-52(59-42-29-23-19-15-11-7-3)60-43-30-24-20-16-12-8-4/h23-30,55-56,59-60H,6-22,31-54H2,1-5H3;27-34,51-52,55-56H,6-26,35-50H2,1-5H3;13-20,47,50-51H,7-12,21-46H2,1-6H3;9-16,47,51-52H,5-8,17-46H2,1-4H3/b27-23-,28-24-,29-25-,30-26-;31-27+,32-28+,33-29+,34-30+;17-13-,18-14-,19-15-,20-16-;13-9-,14-10-,15-11-,16-12-
InChIKeyZIBPYXQSVXFXBN-UPKMLVNWSA-N
XLogP53.81
TPSA503.93 Ų
H-Bond Donors
H-Bond Acceptors47
Rotatable Bonds188
Heavy Atoms269
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003807.58
LogP ≤ 553.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [2-[4,4-bis[(Z)-dec-4-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(Z)-dec-4-enoxy]butanoate;[2-[4,4-bis[(E)-non-2-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(E)-non-2-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[3-(diethylamino)propoxycarbonyloxy]propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-(4-pyrrolidin-1-ylbutanoyloxy)propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate with MolForge

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Related Compounds

6-O-[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 1-O-[(E)-non-2-enyl] hexanedioate;ethane
CID 164591221
8-O-[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 1-O-[(Z)-dec-4-enyl] octanedioate
CID 164591170
7-O-[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 1-O-(2-butyloctyl) heptanedioate
CID 164591182
6-O-[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 1-O-[(Z)-non-3-enyl] hexanedioate
CID 164591268
6-O-[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 1-O-[(Z)-oct-3-enyl] hexanedioate
CID 164591251
[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[3-(dipropylamino)propoxycarbonyloxy]propyl] (9Z,12Z)-octadeca-9,12-dienoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[(1-ethylpyrrolidin-3-yl)methoxycarbonyloxy]propyl] (9Z,12Z)-octadeca-9,12-dienoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[2-(1-methylpyrrolidin-2-yl)ethoxycarbonyloxy]propyl] (9Z,12Z)-octadeca-9,12-dienoate
CID 158007347
7-O-[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 1-O-(3-butylnonyl) heptanedioate
CID 167540655
1-O-(3-butylnonyl) 7-O-[2-[(1-ethylpiperidin-3-yl)methoxycarbonyloxymethyl]-3-[4-oct-5-enoxy-4-[(Z)-oct-5-enoxy]butanoyl]oxypropyl] heptanedioate
CID 164591281
[2-[6,6-bis[(E)-non-2-enoxy]hexanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 6,6-bis[(E)-non-2-enoxy]hexanoate
CID 164591259
8-O-[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 1-O-non-2-ynyl octanedioate
CID 164591236
8-O-[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 1-O-[(Z)-dec-4-enyl] octanedioate;8-O-[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 1-O-[(E)-non-2-enyl] octanedioate;8-O-[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 1-O-non-2-ynyl octanedioate;8-O-[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 1-O-oct-3-ynyl octanedioate
CID 167666938
8-O-[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 1-O-oct-3-ynyl octanedioate
CID 164591220

Frequently Asked Questions

What is the IUPAC name of [2-[4,4-bis[(Z)-dec-4-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(Z)-dec-4-enoxy]butanoate;[2-[4,4-bis[(E)-non-2-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(E)-non-2-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[3-(diethylamino)propoxycarbonyloxy]propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-(4-pyrrolidin-1-ylbutanoyloxy)propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate?
The IUPAC name of [2-[4,4-bis[(Z)-dec-4-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(Z)-dec-4-enoxy]butanoate;[2-[4,4-bis[(E)-non-2-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(E)-non-2-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[3-(diethylamino)propoxycarbonyloxy]propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-(4-pyrrolidin-1-ylbutanoyloxy)propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate (CID 167707517) is [2-[4,4-bis[(Z)-dec-4-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(Z)-dec-4-enoxy]butanoate;[2-[4,4-bis[(E)-non-2-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(E)-non-2-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[3-(diethylamino)propoxycarbonyloxy]propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-(4-pyrrolidin-1-ylbutanoyloxy)propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate.
What is the SMILES notation for [2-[4,4-bis[(Z)-dec-4-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(Z)-dec-4-enoxy]butanoate;[2-[4,4-bis[(E)-non-2-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(E)-non-2-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[3-(diethylamino)propoxycarbonyloxy]propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-(4-pyrrolidin-1-ylbutanoyloxy)propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate?
The canonical SMILES for [2-[4,4-bis[(Z)-dec-4-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(Z)-dec-4-enoxy]butanoate;[2-[4,4-bis[(E)-non-2-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(E)-non-2-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[3-(diethylamino)propoxycarbonyloxy]propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-(4-pyrrolidin-1-ylbutanoyloxy)propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate is CC/C=C\CCCCOC(CCC(=O)OCC(COC(=O)CCC(OCCCC/C=C\CC)OCCCC/C=C\CC)COC(=O)OCCCN(CC)CC)OCCCC/C=C\CC.CC/C=C\CCCCOC(CCC(=O)OCC(COC(=O)CCCN1CCCC1)COC(=O)CCC(OCCCC/C=C\CC)OCCCC/C=C\CC)OCCCC/C=C\CC.CCCCC/C=C\CCCOC(CCC(=O)OCC(COC(=O)CCC(OCCC/C=C\CCCCC)OCCC/C=C\CCCCC)COC(=O)OCC1CCCN(CC)C1)OCCC/C=C\CCCCC.CCCCCC/C=C/COC(CCC(=O)OCC(COC(=O)CCC(OC/C=C/CCCCCC)OC/C=C/CCCCCC)COC(=O)OCC1CCCN(CC)C1)OC/C=C/CCCCCC.
What is the InChIKey of [2-[4,4-bis[(Z)-dec-4-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(Z)-dec-4-enoxy]butanoate;[2-[4,4-bis[(E)-non-2-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(E)-non-2-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[3-(diethylamino)propoxycarbonyloxy]propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-(4-pyrrolidin-1-ylbutanoyloxy)propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate?
The InChIKey is ZIBPYXQSVXFXBN-UPKMLVNWSA-N. The full InChI is InChI=1S/C61H109NO11.C57H101NO11.C52H93NO11.C52H91NO10/c1-6-11-15-19-23-27-31-35-46-66-59(67-47-36-32-28-24-20-16-12-7-2)43-41-57(63)70-52-56(54-73-61(65)72-51-55-40-39-45-62(10-5)50-55)53-71-58(64)42-44-60(68-48-37-33-29-25-21-17-13-8-3)69-49-38-34-30-26-22-18-14-9-4;1-6-11-15-19-23-27-31-42-62-55(63-43-32-28-24-20-16-12-7-2)39-37-53(59)66-48-52(50-69-57(61)68-47-51-36-35-41-58(10-5)46-51)49-67-54(60)38-40-56(64-44-33-29-25-21-17-13-8-3)65-45-34-30-26-22-18-14-9-4;1-7-13-17-21-25-29-39-57-50(58-40-30-26-22-18-14-8-2)36-34-48(54)62-44-47(46-64-52(56)61-43-33-38-53(11-5)12-6)45-63-49(55)35-37-51(59-41-31-27-23-19-15-9-3)60-42-32-28-24-20-16-10-4;1-5-9-13-17-21-27-40-57-51(58-41-28-22-18-14-10-6-2)35-33-49(55)62-45-47(44-61-48(54)32-31-39-53-37-25-26-38-53)46-63-50(56)34-36-52(59-42-29-23-19-15-11-7-3)60-43-30-24-20-16-12-8-4/h23-30,55-56,59-60H,6-22,31-54H2,1-5H3;27-34,51-52,55-56H,6-26,35-50H2,1-5H3;13-20,47,50-51H,7-12,21-46H2,1-6H3;9-16,47,51-52H,5-8,17-46H2,1-4H3/b27-23-,28-24-,29-25-,30-26-;31-27+,32-28+,33-29+,34-30+;17-13-,18-14-,19-15-,20-16-;13-9-,14-10-,15-11-,16-12-.
What are the key properties of [2-[4,4-bis[(Z)-dec-4-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(Z)-dec-4-enoxy]butanoate;[2-[4,4-bis[(E)-non-2-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(E)-non-2-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[3-(diethylamino)propoxycarbonyloxy]propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-(4-pyrrolidin-1-ylbutanoyloxy)propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate?
[2-[4,4-bis[(Z)-dec-4-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(Z)-dec-4-enoxy]butanoate;[2-[4,4-bis[(E)-non-2-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(E)-non-2-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[3-(diethylamino)propoxycarbonyloxy]propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-(4-pyrrolidin-1-ylbutanoyloxy)propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate has a molecular weight of 3807.58 g/mol, XLogP of 53.81, 188 rotatable bonds, 0 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4,4-bis[(Z)-dec-4-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(Z)-dec-4-enoxy]butanoate;[2-[4,4-bis[(E)-non-2-enoxy]butanoyloxymethyl]-3-[(1-ethylpiperidin-3-yl)methoxycarbonyloxy]propyl] 4,4-bis[(E)-non-2-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-[3-(diethylamino)propoxycarbonyloxy]propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate;[2-[4,4-bis[(Z)-oct-5-enoxy]butanoyloxymethyl]-3-(4-pyrrolidin-1-ylbutanoyloxy)propyl] 4,4-bis[(Z)-oct-5-enoxy]butanoate is sourced from PubChem (CID 167707517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).