butyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;cyclohexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;ethyl (2E,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;ethyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;2-ethylhexyl (2E,4E)-2-cyano-5-[3-[[(1E,3E)-4-cyano-5-(2-ethylhexoxy)-5-oxopenta-1,3-dienyl]-ethylamino]propyl-ethylamino]penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;methyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;nonyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate

C229H370N28O28 — CID 159207631

IUPACbutyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;cyclohexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;ethyl (2E,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;ethyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;2-ethylhexyl (2E,4E)-2-cyano-5-[3-[[(1E,3E)-4-cyano-5-(2-ethylhexoxy)-5-oxopenta-1,3-dienyl]-ethylamino]propyl-ethylamino]penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;methyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;nonyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate
SMILESCCCCC(CC)COC(=O)/C(C#N)=C/C=C/N(CC)CCCN(/C=C/C=C(\C#N)C(=O)OCC(CC)CCCC)CC.CCCCC(CC)COC(=O)/C(C#N)=C\C=C\N(C)C.CCCCC(CC)COC(=O)/C(C#N)=C\C=C\N(CC)CC.CCCCCCCCCOC(=O)/C(C#N)=C\C=C\N(CC)CC.CCCCCCCCOC(=O)/C(C#N)=C\C=C\N(C)C.CCCCCCCCOC(=O)/C(C#N)=C\C=C\N(CC)CC.CCCCCCN(/C=C/C=C(/C#N)C(=O)OC)CCCCCC.CCCCCCN(/C=C/C=C(/C#N)C(=O)OCC)CCCCCC.CCCCCCOC(=O)/C(C#N)=C\C=C\N(C)C.CCCCCCOC(=O)/C(C#N)=C\C=C\N(CC)CC.CCCCOC(=O)/C(C#N)=C\C=C\N(C)C.CCOC(=O)/C(C#N)=C/C=C/N(CC)CC.CN(C)/C=C/C=C(/C#N)C(=O)OC1CCCCC1
InChIInChI=1S/C35H56N4O4.C20H34N2O2.2C19H32N2O2.2C18H30N2O2.3C16H26N2O2.C14H20N2O2.C14H22N2O2.2C12H18N2O2/c1-7-13-18-30(9-3)28-42-34(40)32(26-36)20-15-22-38(11-5)24-17-25-39(12-6)23-16-21-33(27-37)35(41)43-29-31(10-4)19-14-8-2;1-4-7-9-11-15-22(16-12-10-8-5-2)17-13-14-19(18-21)20(23)24-6-3;1-4-6-8-10-14-21(15-11-9-7-5-2)16-12-13-18(17-20)19(22)23-3;1-4-7-8-9-10-11-12-16-23-19(22)18(17-20)14-13-15-21(5-2)6-3;1-5-9-11-16(6-2)15-22-18(21)17(14-19)12-10-13-20(7-3)8-4;1-4-7-8-9-10-11-15-22-18(21)17(16-19)13-12-14-20(5-2)6-3;1-5-7-9-14(6-2)13-20-16(19)15(12-17)10-8-11-18(3)4;1-4-5-6-7-8-9-13-20-16(19)15(14-17)11-10-12-18(2)3;1-4-7-8-9-13-20-16(19)15(14-17)11-10-12-18(5-2)6-3;1-16(2)10-6-7-12(11-15)14(17)18-13-8-4-3-5-9-13;1-4-5-6-7-11-18-14(17)13(12-15)9-8-10-16(2)3;1-4-5-9-16-12(15)11(10-13)7-6-8-14(2)3;1-4-14(5-2)9-7-8-11(10-13)12(15)16-6-3/h15-16,20-23,30-31H,7-14,17-19,24-25,28-29H2,1-6H3;13-14,17H,4-12,15-16H2,1-3H3;12-13,16H,4-11,14-15H2,1-3H3;13-15H,4-12,16H2,1-3H3;10,12-13,16H,5-9,11,15H2,1-4H3;12-14H,4-11,15H2,1-3H3;8,10-11,14H,5-7,9,13H2,1-4H3;2*10-12H,4-9,13H2,1-3H3;6-7,10,13H,3-5,8-9H2,1-2H3;8-10H,4-7,11H2,1-3H3;6-8H,4-5,9H2,1-3H3;7-9H,4-6H2,1-3H3/b22-15+,23-16+,32-20+,33-21+;17-13+,19-14-;16-12+,18-13-;15-13+,18-14-;13-10+,17-12-;14-12+,17-13-;11-8+,15-10-;2*12-10+,15-11-;10-6+,12-7-;10-8+,13-9-;8-6+,11-7-;9-7+,11-8+
InChIKeyKQBUHHSFEWUHQT-MRGHXHCISA-N
MW3963.65 g/mol
LogP48.70
Rot. Bonds140

About butyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;cyclohexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;ethyl (2E,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;ethyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;2-ethylhexyl (2E,4E)-2-cyano-5-[3-[[(1E,3E)-4-cyano-5-(2-ethylhexoxy)-5-oxopenta-1,3-dienyl]-ethylamino]propyl-ethylamino]penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;methyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;nonyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate

butyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;cyclohexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;ethyl (2E,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;ethyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;2-ethylhexyl (2E,4E)-2-cyano-5-[3-[[(1E,3E)-4-cyano-5-(2-ethylhexoxy)-5-oxopenta-1,3-dienyl]-ethylamino]propyl-ethylamino]penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;methyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;nonyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate (PubChem CID 159207631) has the molecular formula C229H370N28O28 and a molecular weight of 3963.65 g/mol. Its IUPAC name is butyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;cyclohexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;ethyl (2E,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;ethyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;2-ethylhexyl (2E,4E)-2-cyano-5-[3-[[(1E,3E)-4-cyano-5-(2-ethylhexoxy)-5-oxopenta-1,3-dienyl]-ethylamino]propyl-ethylamino]penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;methyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;nonyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate.

Molecular Properties

Compound Namebutyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;cyclohexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;ethyl (2E,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;ethyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;2-ethylhexyl (2E,4E)-2-cyano-5-[3-[[(1E,3E)-4-cyano-5-(2-ethylhexoxy)-5-oxopenta-1,3-dienyl]-ethylamino]propyl-ethylamino]penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;methyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;nonyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate
PubChem CID159207631
Molecular FormulaC229H370N28O28
Molecular Weight3963.65 g/mol
Exact Mass3960.84
IUPAC Namebutyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;cyclohexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;ethyl (2E,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;ethyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;2-ethylhexyl (2E,4E)-2-cyano-5-[3-[[(1E,3E)-4-cyano-5-(2-ethylhexoxy)-5-oxopenta-1,3-dienyl]-ethylamino]propyl-ethylamino]penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;methyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;nonyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate
SMILESCCCCC(CC)COC(=O)/C(C#N)=C/C=C/N(CC)CCCN(/C=C/C=C(\C#N)C(=O)OCC(CC)CCCC)CC.CCCCC(CC)COC(=O)/C(C#N)=C\C=C\N(C)C.CCCCC(CC)COC(=O)/C(C#N)=C\C=C\N(CC)CC.CCCCCCCCCOC(=O)/C(C#N)=C\C=C\N(CC)CC.CCCCCCCCOC(=O)/C(C#N)=C\C=C\N(C)C.CCCCCCCCOC(=O)/C(C#N)=C\C=C\N(CC)CC.CCCCCCN(/C=C/C=C(/C#N)C(=O)OC)CCCCCC.CCCCCCN(/C=C/C=C(/C#N)C(=O)OCC)CCCCCC.CCCCCCOC(=O)/C(C#N)=C\C=C\N(C)C.CCCCCCOC(=O)/C(C#N)=C\C=C\N(CC)CC.CCCCOC(=O)/C(C#N)=C\C=C\N(C)C.CCOC(=O)/C(C#N)=C/C=C/N(CC)CC.CN(C)/C=C/C=C(/C#N)C(=O)OC1CCCCC1
InChIInChI=1S/C35H56N4O4.C20H34N2O2.2C19H32N2O2.2C18H30N2O2.3C16H26N2O2.C14H20N2O2.C14H22N2O2.2C12H18N2O2/c1-7-13-18-30(9-3)28-42-34(40)32(26-36)20-15-22-38(11-5)24-17-25-39(12-6)23-16-21-33(27-37)35(41)43-29-31(10-4)19-14-8-2;1-4-7-9-11-15-22(16-12-10-8-5-2)17-13-14-19(18-21)20(23)24-6-3;1-4-6-8-10-14-21(15-11-9-7-5-2)16-12-13-18(17-20)19(22)23-3;1-4-7-8-9-10-11-12-16-23-19(22)18(17-20)14-13-15-21(5-2)6-3;1-5-9-11-16(6-2)15-22-18(21)17(14-19)12-10-13-20(7-3)8-4;1-4-7-8-9-10-11-15-22-18(21)17(16-19)13-12-14-20(5-2)6-3;1-5-7-9-14(6-2)13-20-16(19)15(12-17)10-8-11-18(3)4;1-4-5-6-7-8-9-13-20-16(19)15(14-17)11-10-12-18(2)3;1-4-7-8-9-13-20-16(19)15(14-17)11-10-12-18(5-2)6-3;1-16(2)10-6-7-12(11-15)14(17)18-13-8-4-3-5-9-13;1-4-5-6-7-11-18-14(17)13(12-15)9-8-10-16(2)3;1-4-5-9-16-12(15)11(10-13)7-6-8-14(2)3;1-4-14(5-2)9-7-8-11(10-13)12(15)16-6-3/h15-16,20-23,30-31H,7-14,17-19,24-25,28-29H2,1-6H3;13-14,17H,4-12,15-16H2,1-3H3;12-13,16H,4-11,14-15H2,1-3H3;13-15H,4-12,16H2,1-3H3;10,12-13,16H,5-9,11,15H2,1-4H3;12-14H,4-11,15H2,1-3H3;8,10-11,14H,5-7,9,13H2,1-4H3;2*10-12H,4-9,13H2,1-3H3;6-7,10,13H,3-5,8-9H2,1-2H3;8-10H,4-7,11H2,1-3H3;6-8H,4-5,9H2,1-3H3;7-9H,4-6H2,1-3H3/b22-15+,23-16+,32-20+,33-21+;17-13+,19-14-;16-12+,18-13-;15-13+,18-14-;13-10+,17-12-;14-12+,17-13-;11-8+,15-10-;2*12-10+,15-11-;10-6+,12-7-;10-8+,13-9-;8-6+,11-7-;9-7+,11-8+
InChIKeyKQBUHHSFEWUHQT-MRGHXHCISA-N
XLogP48.70
TPSA746.62 Ų
H-Bond Donors
H-Bond Acceptors56
Rotatable Bonds140
Heavy Atoms285
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003963.65
LogP ≤ 548.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze butyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;cyclohexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;ethyl (2E,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;ethyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;2-ethylhexyl (2E,4E)-2-cyano-5-[3-[[(1E,3E)-4-cyano-5-(2-ethylhexoxy)-5-oxopenta-1,3-dienyl]-ethylamino]propyl-ethylamino]penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;methyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;nonyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate with MolForge

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Launch Full Analysis

Related Compounds

ethyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate
CID 88900526
2-[(E)-3-[bis(2-ethylhexyl)amino]prop-2-enylidene]propanedinitrile;2-ethylhexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;octan-2-yl (2E,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-[ethyl(methyl)amino]penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-piperidin-1-ylpenta-2,4-dienoate;propan-2-yl (2E,4E)-5-[3-[[(1E,3E)-4-cyano-5-oxo-5-propan-2-yloxypenta-1,3-dienyl]-methylamino]propyl-methylamino]-2-ethynylpenta-2,4-dienoate
CID 158315677
butyl (2E,4E)-5-[butyl(ethyl)amino]-2-cyanopenta-2,4-dienoate
CID 144669957
octyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate
CID 88900633
butyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate
CID 88900556
dodecyl (2Z,4E)-2-(benzenesulfonyl)-5-(dimethylamino)penta-2,4-dienoate;2-ethylhexyl (Z,4E)-2-cyano-4-(1-methylpyrrolidin-2-ylidene)but-2-enoate;1-O-ethyl 3-O-octyl (2E)-2-[(E)-3-(diethylamino)prop-2-enylidene]propanedioate;2-[2-(2-methoxyethoxy)ethoxy]ethyl (Z,4E)-2-cyano-4-(1-methylpyrrolidin-2-ylidene)but-2-enoate;nonyl (2E,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-(benzenesulfonyl)-5-(diethylamino)penta-2,4-dienoate;phenyl (2Z,4E)-5-(dibutylamino)-2-(4-methylphenyl)sulfonylpenta-2,4-dienoate
CID 164975825
ethyl (2E,4E)-2-cyano-5-(dibutylamino)penta-2,4-dienoate
CID 146177722
2-ethylhexyl (2E,4E)-2-cyanohexa-2,4-dienoate
CID 142849721
4-[5-(dibutylamino)-2-isocyanopenta-2,4-dienoyl]oxybutyl 2-cyano-5-(dibutylamino)penta-2,4-dienoate
CID 76628912
3-hydroxypropyl 2-cyano-5-(dimethylamino)penta-2,4-dienoate
CID 123780882
octyl (2Z,4E)-2-cyano-5-piperidin-1-ylpenta-2,4-dienoate
CID 88900524
3-[(2E,4E)-2-amino-5-[ethyl(2-hydroxyethyl)amino]penta-2,4-dienoyl]oxypropyl (2E,4E)-2-cyano-5-[ethyl(2-hydroxyethyl)amino]penta-2,4-dienoate
CID 88900938

Frequently Asked Questions

What is the IUPAC name of butyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;cyclohexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;ethyl (2E,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;ethyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;2-ethylhexyl (2E,4E)-2-cyano-5-[3-[[(1E,3E)-4-cyano-5-(2-ethylhexoxy)-5-oxopenta-1,3-dienyl]-ethylamino]propyl-ethylamino]penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;methyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;nonyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate?
The IUPAC name of butyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;cyclohexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;ethyl (2E,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;ethyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;2-ethylhexyl (2E,4E)-2-cyano-5-[3-[[(1E,3E)-4-cyano-5-(2-ethylhexoxy)-5-oxopenta-1,3-dienyl]-ethylamino]propyl-ethylamino]penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;methyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;nonyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate (CID 159207631) is butyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;cyclohexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;ethyl (2E,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;ethyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;2-ethylhexyl (2E,4E)-2-cyano-5-[3-[[(1E,3E)-4-cyano-5-(2-ethylhexoxy)-5-oxopenta-1,3-dienyl]-ethylamino]propyl-ethylamino]penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;methyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;nonyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate.
What is the SMILES notation for butyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;cyclohexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;ethyl (2E,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;ethyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;2-ethylhexyl (2E,4E)-2-cyano-5-[3-[[(1E,3E)-4-cyano-5-(2-ethylhexoxy)-5-oxopenta-1,3-dienyl]-ethylamino]propyl-ethylamino]penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;methyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;nonyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate?
The canonical SMILES for butyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;cyclohexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;ethyl (2E,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;ethyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;2-ethylhexyl (2E,4E)-2-cyano-5-[3-[[(1E,3E)-4-cyano-5-(2-ethylhexoxy)-5-oxopenta-1,3-dienyl]-ethylamino]propyl-ethylamino]penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;methyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;nonyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate is CCCCC(CC)COC(=O)/C(C#N)=C/C=C/N(CC)CCCN(/C=C/C=C(\C#N)C(=O)OCC(CC)CCCC)CC.CCCCC(CC)COC(=O)/C(C#N)=C\C=C\N(C)C.CCCCC(CC)COC(=O)/C(C#N)=C\C=C\N(CC)CC.CCCCCCCCCOC(=O)/C(C#N)=C\C=C\N(CC)CC.CCCCCCCCOC(=O)/C(C#N)=C\C=C\N(C)C.CCCCCCCCOC(=O)/C(C#N)=C\C=C\N(CC)CC.CCCCCCN(/C=C/C=C(/C#N)C(=O)OC)CCCCCC.CCCCCCN(/C=C/C=C(/C#N)C(=O)OCC)CCCCCC.CCCCCCOC(=O)/C(C#N)=C\C=C\N(C)C.CCCCCCOC(=O)/C(C#N)=C\C=C\N(CC)CC.CCCCOC(=O)/C(C#N)=C\C=C\N(C)C.CCOC(=O)/C(C#N)=C/C=C/N(CC)CC.CN(C)/C=C/C=C(/C#N)C(=O)OC1CCCCC1.
What is the InChIKey of butyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;cyclohexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;ethyl (2E,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;ethyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;2-ethylhexyl (2E,4E)-2-cyano-5-[3-[[(1E,3E)-4-cyano-5-(2-ethylhexoxy)-5-oxopenta-1,3-dienyl]-ethylamino]propyl-ethylamino]penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;methyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;nonyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate?
The InChIKey is KQBUHHSFEWUHQT-MRGHXHCISA-N. The full InChI is InChI=1S/C35H56N4O4.C20H34N2O2.2C19H32N2O2.2C18H30N2O2.3C16H26N2O2.C14H20N2O2.C14H22N2O2.2C12H18N2O2/c1-7-13-18-30(9-3)28-42-34(40)32(26-36)20-15-22-38(11-5)24-17-25-39(12-6)23-16-21-33(27-37)35(41)43-29-31(10-4)19-14-8-2;1-4-7-9-11-15-22(16-12-10-8-5-2)17-13-14-19(18-21)20(23)24-6-3;1-4-6-8-10-14-21(15-11-9-7-5-2)16-12-13-18(17-20)19(22)23-3;1-4-7-8-9-10-11-12-16-23-19(22)18(17-20)14-13-15-21(5-2)6-3;1-5-9-11-16(6-2)15-22-18(21)17(14-19)12-10-13-20(7-3)8-4;1-4-7-8-9-10-11-15-22-18(21)17(16-19)13-12-14-20(5-2)6-3;1-5-7-9-14(6-2)13-20-16(19)15(12-17)10-8-11-18(3)4;1-4-5-6-7-8-9-13-20-16(19)15(14-17)11-10-12-18(2)3;1-4-7-8-9-13-20-16(19)15(14-17)11-10-12-18(5-2)6-3;1-16(2)10-6-7-12(11-15)14(17)18-13-8-4-3-5-9-13;1-4-5-6-7-11-18-14(17)13(12-15)9-8-10-16(2)3;1-4-5-9-16-12(15)11(10-13)7-6-8-14(2)3;1-4-14(5-2)9-7-8-11(10-13)12(15)16-6-3/h15-16,20-23,30-31H,7-14,17-19,24-25,28-29H2,1-6H3;13-14,17H,4-12,15-16H2,1-3H3;12-13,16H,4-11,14-15H2,1-3H3;13-15H,4-12,16H2,1-3H3;10,12-13,16H,5-9,11,15H2,1-4H3;12-14H,4-11,15H2,1-3H3;8,10-11,14H,5-7,9,13H2,1-4H3;2*10-12H,4-9,13H2,1-3H3;6-7,10,13H,3-5,8-9H2,1-2H3;8-10H,4-7,11H2,1-3H3;6-8H,4-5,9H2,1-3H3;7-9H,4-6H2,1-3H3/b22-15+,23-16+,32-20+,33-21+;17-13+,19-14-;16-12+,18-13-;15-13+,18-14-;13-10+,17-12-;14-12+,17-13-;11-8+,15-10-;2*12-10+,15-11-;10-6+,12-7-;10-8+,13-9-;8-6+,11-7-;9-7+,11-8+.
What are the key properties of butyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;cyclohexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;ethyl (2E,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;ethyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;2-ethylhexyl (2E,4E)-2-cyano-5-[3-[[(1E,3E)-4-cyano-5-(2-ethylhexoxy)-5-oxopenta-1,3-dienyl]-ethylamino]propyl-ethylamino]penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;methyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;nonyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate?
butyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;cyclohexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;ethyl (2E,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;ethyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;2-ethylhexyl (2E,4E)-2-cyano-5-[3-[[(1E,3E)-4-cyano-5-(2-ethylhexoxy)-5-oxopenta-1,3-dienyl]-ethylamino]propyl-ethylamino]penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;methyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;nonyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate has a molecular weight of 3963.65 g/mol, XLogP of 48.70, 140 rotatable bonds, 0 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;cyclohexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;ethyl (2E,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;ethyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;2-ethylhexyl (2E,4E)-2-cyano-5-[3-[[(1E,3E)-4-cyano-5-(2-ethylhexoxy)-5-oxopenta-1,3-dienyl]-ethylamino]propyl-ethylamino]penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;2-ethylhexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;hexyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate;methyl (2Z,4E)-2-cyano-5-(dihexylamino)penta-2,4-dienoate;nonyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(diethylamino)penta-2,4-dienoate;octyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate is sourced from PubChem (CID 159207631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).