4-O-[2-[4-[3-[4-[1,3-bis[[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxy]propan-2-yloxy]-4-oxobutanoyl]oxy-2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxypropoxy]-4-oxobutanoyl]oxy-3-[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxypropyl] 1-O-[2-(dimethylamino)ethyl] butanedioate;1-O-[2-[4-(tert-butyl-cyclohexa-1,3-dien-1-yl-phenylsilyl)oxy-4-oxobutanoyl]oxy-3-[4-(1,3-dihydroxypropan-2-yloxy)-4-oxobutanoyl]oxypropyl] 4-O-(1,3-dihydroxypropan-2-yl) butanedioate;1-O-[2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxy-3-[4-[1,3-di(tetradecanoyloxy)propan-2-yloxy]-4-oxobutanoyl]oxypropyl] 4-O-[1,3-di(tetradecanoyloxy)propan-2-yl] butanedioate;4-[2-(dimethylamino)ethoxy]-4-oxobutanoic acid

C207H323N5O68Si3 — CID 159269391

IUPAC4-O-[2-[4-[3-[4-[1,3-bis[[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxy]propan-2-yloxy]-4-oxobutanoyl]oxy-2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxypropoxy]-4-oxobutanoyl]oxy-3-[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxypropyl] 1-O-[2-(dimethylamino)ethyl] butanedioate;1-O-[2-[4-(tert-butyl-cyclohexa-1,3-dien-1-yl-phenylsilyl)oxy-4-oxobutanoyl]oxy-3-[4-(1,3-dihydroxypropan-2-yloxy)-4-oxobutanoyl]oxypropyl] 4-O-(1,3-dihydroxypropan-2-yl) butanedioate;1-O-[2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxy-3-[4-[1,3-di(tetradecanoyloxy)propan-2-yloxy]-4-oxobutanoyl]oxypropyl] 4-O-[1,3-di(tetradecanoyloxy)propan-2-yl] butanedioate;4-[2-(dimethylamino)ethoxy]-4-oxobutanoic acid
SMILESCC(C)(C)[Si](OC(=O)CCC(=O)OC(COC(=O)CCC(=O)OC(CO)CO)COC(=O)CCC(=O)OC(CO)CO)(C1=CC=CCC1)c1ccccc1.CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC(=O)OCC(COC(=O)CCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)OC(=O)CCC(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CN(C)CCOC(=O)CCC(=O)O.CN(C)CCOC(=O)CCC(=O)OCC(COC(=O)CCC(=O)OCCN(C)C)OC(=O)CCC(=O)OCC(COC(=O)CCC(=O)OC(COC(=O)CCC(=O)OCCN(C)C)COC(=O)CCC(=O)OCCN(C)C)OC(=O)CCC(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C93H154O20Si.C69H102N4O28Si.C37H52O16Si.C8H15NO4/c1-8-12-16-20-24-28-32-36-40-44-54-62-83(94)104-72-78(73-105-84(95)63-55-45-41-37-33-29-25-21-17-13-9-2)110-89(100)68-66-87(98)108-76-80(112-91(102)70-71-92(103)113-114(93(5,6)7,81-58-50-48-51-59-81)82-60-52-49-53-61-82)77-109-88(99)67-69-90(101)111-79(74-106-85(96)64-56-46-42-38-34-30-26-22-18-14-10-3)75-107-86(97)65-57-47-43-39-35-31-27-23-19-15-11-4;1-69(2,3)102(53-18-14-12-15-19-53,54-20-16-13-17-21-54)101-68(87)35-34-67(86)100-52(48-96-63(82)30-32-65(84)98-50(44-92-59(78)26-22-55(74)88-40-36-70(4)5)45-93-60(79)27-23-56(75)89-41-37-71(6)7)49-97-64(83)31-33-66(85)99-51(46-94-61(80)28-24-57(76)90-42-38-72(8)9)47-95-62(81)29-25-58(77)91-43-39-73(10)11;1-37(2,3)54(29-10-6-4-7-11-29,30-12-8-5-9-13-30)53-36(47)19-18-35(46)52-28(24-48-31(42)14-16-33(44)50-26(20-38)21-39)25-49-32(43)15-17-34(45)51-27(22-40)23-41;1-9(2)5-6-13-8(12)4-3-7(10)11/h48-53,58-61,78-80H,8-47,54-57,62-77H2,1-7H3;12-21,50-52H,22-49H2,1-11H3;4-8,10-12,26-28,38-41H,9,13-25H2,1-3H3;3-6H2,1-2H3,(H,10,11)
InChIKeyKXMXICDVLACPOT-UHFFFAOYSA-N
MW4054.09 g/mol
LogP24.28
Rot. Bonds155

About 4-O-[2-[4-[3-[4-[1,3-bis[[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxy]propan-2-yloxy]-4-oxobutanoyl]oxy-2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxypropoxy]-4-oxobutanoyl]oxy-3-[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxypropyl] 1-O-[2-(dimethylamino)ethyl] butanedioate;1-O-[2-[4-(tert-butyl-cyclohexa-1,3-dien-1-yl-phenylsilyl)oxy-4-oxobutanoyl]oxy-3-[4-(1,3-dihydroxypropan-2-yloxy)-4-oxobutanoyl]oxypropyl] 4-O-(1,3-dihydroxypropan-2-yl) butanedioate;1-O-[2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxy-3-[4-[1,3-di(tetradecanoyloxy)propan-2-yloxy]-4-oxobutanoyl]oxypropyl] 4-O-[1,3-di(tetradecanoyloxy)propan-2-yl] butanedioate;4-[2-(dimethylamino)ethoxy]-4-oxobutanoic acid

4-O-[2-[4-[3-[4-[1,3-bis[[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxy]propan-2-yloxy]-4-oxobutanoyl]oxy-2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxypropoxy]-4-oxobutanoyl]oxy-3-[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxypropyl] 1-O-[2-(dimethylamino)ethyl] butanedioate;1-O-[2-[4-(tert-butyl-cyclohexa-1,3-dien-1-yl-phenylsilyl)oxy-4-oxobutanoyl]oxy-3-[4-(1,3-dihydroxypropan-2-yloxy)-4-oxobutanoyl]oxypropyl] 4-O-(1,3-dihydroxypropan-2-yl) butanedioate;1-O-[2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxy-3-[4-[1,3-di(tetradecanoyloxy)propan-2-yloxy]-4-oxobutanoyl]oxypropyl] 4-O-[1,3-di(tetradecanoyloxy)propan-2-yl] butanedioate;4-[2-(dimethylamino)ethoxy]-4-oxobutanoic acid (PubChem CID 159269391) has the molecular formula C207H323N5O68Si3 and a molecular weight of 4054.09 g/mol. Its IUPAC name is 4-O-[2-[4-[3-[4-[1,3-bis[[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxy]propan-2-yloxy]-4-oxobutanoyl]oxy-2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxypropoxy]-4-oxobutanoyl]oxy-3-[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxypropyl] 1-O-[2-(dimethylamino)ethyl] butanedioate;1-O-[2-[4-(tert-butyl-cyclohexa-1,3-dien-1-yl-phenylsilyl)oxy-4-oxobutanoyl]oxy-3-[4-(1,3-dihydroxypropan-2-yloxy)-4-oxobutanoyl]oxypropyl] 4-O-(1,3-dihydroxypropan-2-yl) butanedioate;1-O-[2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxy-3-[4-[1,3-di(tetradecanoyloxy)propan-2-yloxy]-4-oxobutanoyl]oxypropyl] 4-O-[1,3-di(tetradecanoyloxy)propan-2-yl] butanedioate;4-[2-(dimethylamino)ethoxy]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-O-[2-[4-[3-[4-[1,3-bis[[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxy]propan-2-yloxy]-4-oxobutanoyl]oxy-2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxypropoxy]-4-oxobutanoyl]oxy-3-[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxypropyl] 1-O-[2-(dimethylamino)ethyl] butanedioate;1-O-[2-[4-(tert-butyl-cyclohexa-1,3-dien-1-yl-phenylsilyl)oxy-4-oxobutanoyl]oxy-3-[4-(1,3-dihydroxypropan-2-yloxy)-4-oxobutanoyl]oxypropyl] 4-O-(1,3-dihydroxypropan-2-yl) butanedioate;1-O-[2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxy-3-[4-[1,3-di(tetradecanoyloxy)propan-2-yloxy]-4-oxobutanoyl]oxypropyl] 4-O-[1,3-di(tetradecanoyloxy)propan-2-yl] butanedioate;4-[2-(dimethylamino)ethoxy]-4-oxobutanoic acid
PubChem CID159269391
Molecular FormulaC207H323N5O68Si3
Molecular Weight4054.09 g/mol
Exact Mass4051.13
IUPAC Name4-O-[2-[4-[3-[4-[1,3-bis[[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxy]propan-2-yloxy]-4-oxobutanoyl]oxy-2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxypropoxy]-4-oxobutanoyl]oxy-3-[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxypropyl] 1-O-[2-(dimethylamino)ethyl] butanedioate;1-O-[2-[4-(tert-butyl-cyclohexa-1,3-dien-1-yl-phenylsilyl)oxy-4-oxobutanoyl]oxy-3-[4-(1,3-dihydroxypropan-2-yloxy)-4-oxobutanoyl]oxypropyl] 4-O-(1,3-dihydroxypropan-2-yl) butanedioate;1-O-[2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxy-3-[4-[1,3-di(tetradecanoyloxy)propan-2-yloxy]-4-oxobutanoyl]oxypropyl] 4-O-[1,3-di(tetradecanoyloxy)propan-2-yl] butanedioate;4-[2-(dimethylamino)ethoxy]-4-oxobutanoic acid
SMILESCC(C)(C)[Si](OC(=O)CCC(=O)OC(COC(=O)CCC(=O)OC(CO)CO)COC(=O)CCC(=O)OC(CO)CO)(C1=CC=CCC1)c1ccccc1.CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC(=O)OCC(COC(=O)CCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)OC(=O)CCC(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CN(C)CCOC(=O)CCC(=O)O.CN(C)CCOC(=O)CCC(=O)OCC(COC(=O)CCC(=O)OCCN(C)C)OC(=O)CCC(=O)OCC(COC(=O)CCC(=O)OC(COC(=O)CCC(=O)OCCN(C)C)COC(=O)CCC(=O)OCCN(C)C)OC(=O)CCC(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C93H154O20Si.C69H102N4O28Si.C37H52O16Si.C8H15NO4/c1-8-12-16-20-24-28-32-36-40-44-54-62-83(94)104-72-78(73-105-84(95)63-55-45-41-37-33-29-25-21-17-13-9-2)110-89(100)68-66-87(98)108-76-80(112-91(102)70-71-92(103)113-114(93(5,6)7,81-58-50-48-51-59-81)82-60-52-49-53-61-82)77-109-88(99)67-69-90(101)111-79(74-106-85(96)64-56-46-42-38-34-30-26-22-18-14-10-3)75-107-86(97)65-57-47-43-39-35-31-27-23-19-15-11-4;1-69(2,3)102(53-18-14-12-15-19-53,54-20-16-13-17-21-54)101-68(87)35-34-67(86)100-52(48-96-63(82)30-32-65(84)98-50(44-92-59(78)26-22-55(74)88-40-36-70(4)5)45-93-60(79)27-23-56(75)89-41-37-71(6)7)49-97-64(83)31-33-66(85)99-51(46-94-61(80)28-24-57(76)90-42-38-72(8)9)47-95-62(81)29-25-58(77)91-43-39-73(10)11;1-37(2,3)54(29-10-6-4-7-11-29,30-12-8-5-9-13-30)53-36(47)19-18-35(46)52-28(24-48-31(42)14-16-33(44)50-26(20-38)21-39)25-49-32(43)15-17-34(45)51-27(22-40)23-41;1-9(2)5-6-13-8(12)4-3-7(10)11/h48-53,58-61,78-80H,8-47,54-57,62-77H2,1-7H3;12-21,50-52H,22-49H2,1-11H3;4-8,10-12,26-28,38-41H,9,13-25H2,1-3H3;3-6H2,1-2H3,(H,10,11)
InChIKeyKXMXICDVLACPOT-UHFFFAOYSA-N
XLogP24.28
TPSA949.72 Ų
H-Bond Donors5
H-Bond Acceptors72
Rotatable Bonds155
Heavy Atoms283
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004054.09
LogP ≤ 524.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1072

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-O-[2-[4-[3-[4-[1,3-bis[[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxy]propan-2-yloxy]-4-oxobutanoyl]oxy-2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxypropoxy]-4-oxobutanoyl]oxy-3-[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxypropyl] 1-O-[2-(dimethylamino)ethyl] butanedioate;1-O-[2-[4-(tert-butyl-cyclohexa-1,3-dien-1-yl-phenylsilyl)oxy-4-oxobutanoyl]oxy-3-[4-(1,3-dihydroxypropan-2-yloxy)-4-oxobutanoyl]oxypropyl] 4-O-(1,3-dihydroxypropan-2-yl) butanedioate;1-O-[2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxy-3-[4-[1,3-di(tetradecanoyloxy)propan-2-yloxy]-4-oxobutanoyl]oxypropyl] 4-O-[1,3-di(tetradecanoyloxy)propan-2-yl] butanedioate;4-[2-(dimethylamino)ethoxy]-4-oxobutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

[3-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
CID 88012641
(+/-)-3-[N,N-Bis(2-ter-butyldiphenylsilyloxyethyl)amino]-1,2-bis(tetradecanoyloxy)propane
CID 131730103
(3R)-1-[(2R)-2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol;[(3R)-1-[(2R)-2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] dodecanoate
CID 160414446

Frequently Asked Questions

What is the IUPAC name of 4-O-[2-[4-[3-[4-[1,3-bis[[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxy]propan-2-yloxy]-4-oxobutanoyl]oxy-2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxypropoxy]-4-oxobutanoyl]oxy-3-[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxypropyl] 1-O-[2-(dimethylamino)ethyl] butanedioate;1-O-[2-[4-(tert-butyl-cyclohexa-1,3-dien-1-yl-phenylsilyl)oxy-4-oxobutanoyl]oxy-3-[4-(1,3-dihydroxypropan-2-yloxy)-4-oxobutanoyl]oxypropyl] 4-O-(1,3-dihydroxypropan-2-yl) butanedioate;1-O-[2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxy-3-[4-[1,3-di(tetradecanoyloxy)propan-2-yloxy]-4-oxobutanoyl]oxypropyl] 4-O-[1,3-di(tetradecanoyloxy)propan-2-yl] butanedioate;4-[2-(dimethylamino)ethoxy]-4-oxobutanoic acid?
The IUPAC name of 4-O-[2-[4-[3-[4-[1,3-bis[[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxy]propan-2-yloxy]-4-oxobutanoyl]oxy-2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxypropoxy]-4-oxobutanoyl]oxy-3-[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxypropyl] 1-O-[2-(dimethylamino)ethyl] butanedioate;1-O-[2-[4-(tert-butyl-cyclohexa-1,3-dien-1-yl-phenylsilyl)oxy-4-oxobutanoyl]oxy-3-[4-(1,3-dihydroxypropan-2-yloxy)-4-oxobutanoyl]oxypropyl] 4-O-(1,3-dihydroxypropan-2-yl) butanedioate;1-O-[2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxy-3-[4-[1,3-di(tetradecanoyloxy)propan-2-yloxy]-4-oxobutanoyl]oxypropyl] 4-O-[1,3-di(tetradecanoyloxy)propan-2-yl] butanedioate;4-[2-(dimethylamino)ethoxy]-4-oxobutanoic acid (CID 159269391) is 4-O-[2-[4-[3-[4-[1,3-bis[[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxy]propan-2-yloxy]-4-oxobutanoyl]oxy-2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxypropoxy]-4-oxobutanoyl]oxy-3-[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxypropyl] 1-O-[2-(dimethylamino)ethyl] butanedioate;1-O-[2-[4-(tert-butyl-cyclohexa-1,3-dien-1-yl-phenylsilyl)oxy-4-oxobutanoyl]oxy-3-[4-(1,3-dihydroxypropan-2-yloxy)-4-oxobutanoyl]oxypropyl] 4-O-(1,3-dihydroxypropan-2-yl) butanedioate;1-O-[2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxy-3-[4-[1,3-di(tetradecanoyloxy)propan-2-yloxy]-4-oxobutanoyl]oxypropyl] 4-O-[1,3-di(tetradecanoyloxy)propan-2-yl] butanedioate;4-[2-(dimethylamino)ethoxy]-4-oxobutanoic acid.
What is the SMILES notation for 4-O-[2-[4-[3-[4-[1,3-bis[[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxy]propan-2-yloxy]-4-oxobutanoyl]oxy-2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxypropoxy]-4-oxobutanoyl]oxy-3-[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxypropyl] 1-O-[2-(dimethylamino)ethyl] butanedioate;1-O-[2-[4-(tert-butyl-cyclohexa-1,3-dien-1-yl-phenylsilyl)oxy-4-oxobutanoyl]oxy-3-[4-(1,3-dihydroxypropan-2-yloxy)-4-oxobutanoyl]oxypropyl] 4-O-(1,3-dihydroxypropan-2-yl) butanedioate;1-O-[2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxy-3-[4-[1,3-di(tetradecanoyloxy)propan-2-yloxy]-4-oxobutanoyl]oxypropyl] 4-O-[1,3-di(tetradecanoyloxy)propan-2-yl] butanedioate;4-[2-(dimethylamino)ethoxy]-4-oxobutanoic acid?
The canonical SMILES for 4-O-[2-[4-[3-[4-[1,3-bis[[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxy]propan-2-yloxy]-4-oxobutanoyl]oxy-2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxypropoxy]-4-oxobutanoyl]oxy-3-[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxypropyl] 1-O-[2-(dimethylamino)ethyl] butanedioate;1-O-[2-[4-(tert-butyl-cyclohexa-1,3-dien-1-yl-phenylsilyl)oxy-4-oxobutanoyl]oxy-3-[4-(1,3-dihydroxypropan-2-yloxy)-4-oxobutanoyl]oxypropyl] 4-O-(1,3-dihydroxypropan-2-yl) butanedioate;1-O-[2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxy-3-[4-[1,3-di(tetradecanoyloxy)propan-2-yloxy]-4-oxobutanoyl]oxypropyl] 4-O-[1,3-di(tetradecanoyloxy)propan-2-yl] butanedioate;4-[2-(dimethylamino)ethoxy]-4-oxobutanoic acid is CC(C)(C)[Si](OC(=O)CCC(=O)OC(COC(=O)CCC(=O)OC(CO)CO)COC(=O)CCC(=O)OC(CO)CO)(C1=CC=CCC1)c1ccccc1.CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC(=O)OCC(COC(=O)CCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)OC(=O)CCC(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CN(C)CCOC(=O)CCC(=O)O.CN(C)CCOC(=O)CCC(=O)OCC(COC(=O)CCC(=O)OCCN(C)C)OC(=O)CCC(=O)OCC(COC(=O)CCC(=O)OC(COC(=O)CCC(=O)OCCN(C)C)COC(=O)CCC(=O)OCCN(C)C)OC(=O)CCC(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 4-O-[2-[4-[3-[4-[1,3-bis[[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxy]propan-2-yloxy]-4-oxobutanoyl]oxy-2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxypropoxy]-4-oxobutanoyl]oxy-3-[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxypropyl] 1-O-[2-(dimethylamino)ethyl] butanedioate;1-O-[2-[4-(tert-butyl-cyclohexa-1,3-dien-1-yl-phenylsilyl)oxy-4-oxobutanoyl]oxy-3-[4-(1,3-dihydroxypropan-2-yloxy)-4-oxobutanoyl]oxypropyl] 4-O-(1,3-dihydroxypropan-2-yl) butanedioate;1-O-[2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxy-3-[4-[1,3-di(tetradecanoyloxy)propan-2-yloxy]-4-oxobutanoyl]oxypropyl] 4-O-[1,3-di(tetradecanoyloxy)propan-2-yl] butanedioate;4-[2-(dimethylamino)ethoxy]-4-oxobutanoic acid?
The InChIKey is KXMXICDVLACPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H154O20Si.C69H102N4O28Si.C37H52O16Si.C8H15NO4/c1-8-12-16-20-24-28-32-36-40-44-54-62-83(94)104-72-78(73-105-84(95)63-55-45-41-37-33-29-25-21-17-13-9-2)110-89(100)68-66-87(98)108-76-80(112-91(102)70-71-92(103)113-114(93(5,6)7,81-58-50-48-51-59-81)82-60-52-49-53-61-82)77-109-88(99)67-69-90(101)111-79(74-106-85(96)64-56-46-42-38-34-30-26-22-18-14-10-3)75-107-86(97)65-57-47-43-39-35-31-27-23-19-15-11-4;1-69(2,3)102(53-18-14-12-15-19-53,54-20-16-13-17-21-54)101-68(87)35-34-67(86)100-52(48-96-63(82)30-32-65(84)98-50(44-92-59(78)26-22-55(74)88-40-36-70(4)5)45-93-60(79)27-23-56(75)89-41-37-71(6)7)49-97-64(83)31-33-66(85)99-51(46-94-61(80)28-24-57(76)90-42-38-72(8)9)47-95-62(81)29-25-58(77)91-43-39-73(10)11;1-37(2,3)54(29-10-6-4-7-11-29,30-12-8-5-9-13-30)53-36(47)19-18-35(46)52-28(24-48-31(42)14-16-33(44)50-26(20-38)21-39)25-49-32(43)15-17-34(45)51-27(22-40)23-41;1-9(2)5-6-13-8(12)4-3-7(10)11/h48-53,58-61,78-80H,8-47,54-57,62-77H2,1-7H3;12-21,50-52H,22-49H2,1-11H3;4-8,10-12,26-28,38-41H,9,13-25H2,1-3H3;3-6H2,1-2H3,(H,10,11).
What are the key properties of 4-O-[2-[4-[3-[4-[1,3-bis[[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxy]propan-2-yloxy]-4-oxobutanoyl]oxy-2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxypropoxy]-4-oxobutanoyl]oxy-3-[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxypropyl] 1-O-[2-(dimethylamino)ethyl] butanedioate;1-O-[2-[4-(tert-butyl-cyclohexa-1,3-dien-1-yl-phenylsilyl)oxy-4-oxobutanoyl]oxy-3-[4-(1,3-dihydroxypropan-2-yloxy)-4-oxobutanoyl]oxypropyl] 4-O-(1,3-dihydroxypropan-2-yl) butanedioate;1-O-[2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxy-3-[4-[1,3-di(tetradecanoyloxy)propan-2-yloxy]-4-oxobutanoyl]oxypropyl] 4-O-[1,3-di(tetradecanoyloxy)propan-2-yl] butanedioate;4-[2-(dimethylamino)ethoxy]-4-oxobutanoic acid?
4-O-[2-[4-[3-[4-[1,3-bis[[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxy]propan-2-yloxy]-4-oxobutanoyl]oxy-2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxypropoxy]-4-oxobutanoyl]oxy-3-[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxypropyl] 1-O-[2-(dimethylamino)ethyl] butanedioate;1-O-[2-[4-(tert-butyl-cyclohexa-1,3-dien-1-yl-phenylsilyl)oxy-4-oxobutanoyl]oxy-3-[4-(1,3-dihydroxypropan-2-yloxy)-4-oxobutanoyl]oxypropyl] 4-O-(1,3-dihydroxypropan-2-yl) butanedioate;1-O-[2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxy-3-[4-[1,3-di(tetradecanoyloxy)propan-2-yloxy]-4-oxobutanoyl]oxypropyl] 4-O-[1,3-di(tetradecanoyloxy)propan-2-yl] butanedioate;4-[2-(dimethylamino)ethoxy]-4-oxobutanoic acid has a molecular weight of 4054.09 g/mol, XLogP of 24.28, 155 rotatable bonds, 5 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[2-[4-[3-[4-[1,3-bis[[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxy]propan-2-yloxy]-4-oxobutanoyl]oxy-2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxypropoxy]-4-oxobutanoyl]oxy-3-[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxypropyl] 1-O-[2-(dimethylamino)ethyl] butanedioate;1-O-[2-[4-(tert-butyl-cyclohexa-1,3-dien-1-yl-phenylsilyl)oxy-4-oxobutanoyl]oxy-3-[4-(1,3-dihydroxypropan-2-yloxy)-4-oxobutanoyl]oxypropyl] 4-O-(1,3-dihydroxypropan-2-yl) butanedioate;1-O-[2-[4-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoyl]oxy-3-[4-[1,3-di(tetradecanoyloxy)propan-2-yloxy]-4-oxobutanoyl]oxypropyl] 4-O-[1,3-di(tetradecanoyloxy)propan-2-yl] butanedioate;4-[2-(dimethylamino)ethoxy]-4-oxobutanoic acid is sourced from PubChem (CID 159269391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).