tert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-hydroxycyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-hydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-hydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-oxocyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-oxocyclooct-2-en-1-yl] tert-butylsulfanylformate

C184H320N4O48S4 — CID 161285698

IUPACtert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-hydroxycyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-hydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-hydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-oxocyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-oxocyclooct-2-en-1-yl] tert-butylsulfanylformate
SMILESCC(C)(C)NC(=O)OC1/C=C\C(O)CC(OC(C)(C)C)C(O)C1.CC(C)(C)NC(=O)OC1/C=C\CC(=O)CCC1.CC(C)(C)NC(=O)OC1/C=C\CC(O)CCC1.CC(C)(C)NC(=O)OC1/C=C\CC(OC(C)(C)C)CCC1.CC(C)(C)OC(=O)OC1/C=C\C(O)CC(O)C(OC(C)(C)C)C1.CC(C)(C)OC(=O)OC1/C=C\C(O)CC(OC(C)(C)C)C(O)C1.CC(C)(C)OC(=O)OC1/C=C\CC(O)CCC1.CC(C)(C)OC(=O)OC1/C=C\CC(OC(C)(C)C)CCC1.CC(C)(C)OC1C/C=C\C(OC(=O)SC(C)(C)C)CCC1.CC(C)(C)OC1CC(O)/C=C\C(OC(=O)SC(C)(C)C)CC1O.CC(C)(C)SC(=O)OC1/C=C\CC(=O)CCC1.CC(C)(C)SC(=O)OC1/C=C\CC(O)CCC1
InChIInChI=1S/C17H31NO5.C17H31NO3.2C17H30O6.C17H30O5S.C17H30O4.C17H30O3S.C13H23NO3.C13H21NO3.C13H22O4.C13H22O3S.C13H20O3S/c1-16(2,3)18-15(21)22-12-8-7-11(19)9-14(13(20)10-12)23-17(4,5)6;1-16(2,3)18-15(19)20-13-9-7-11-14(12-8-10-13)21-17(4,5)6;1-16(2,3)22-14-9-11(18)7-8-12(10-13(14)19)21-15(20)23-17(4,5)6;1-16(2,3)22-14-10-12(8-7-11(18)9-13(14)19)21-15(20)23-17(4,5)6;1-16(2,3)22-14-9-11(18)7-8-12(10-13(14)19)21-15(20)23-17(4,5)6;2*1-16(2,3)20-14-11-7-9-13(10-8-12-14)19-15(18)21-17(4,5)6;2*1-13(2,3)14-12(16)17-11-8-4-6-10(15)7-5-9-11;3*1-13(2,3)17-12(15)16-11-8-4-6-10(14)7-5-9-11/h7-8,11-14,19-20H,9-10H2,1-6H3,(H,18,21);7,9,13-14H,8,10-12H2,1-6H3,(H,18,19);3*7-8,11-14,18-19H,9-10H2,1-6H3;2*7,9,13-14H,8,10-12H2,1-6H3;4,8,10-11,15H,5-7,9H2,1-3H3,(H,14,16);4,8,11H,5-7,9H2,1-3H3,(H,14,16);2*4,8,10-11,14H,5-7,9H2,1-3H3;4,8,11H,5-7,9H2,1-3H3/b8-7-;9-7-;3*8-7-;2*9-7-;5*8-4-
InChIKeyVFRNIFIMYGWFRF-QNKKJIDQSA-N
MW3484.83 g/mol
LogP39.67
Rot. Bonds19

About tert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-hydroxycyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-hydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-hydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-oxocyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-oxocyclooct-2-en-1-yl] tert-butylsulfanylformate

tert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-hydroxycyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-hydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-hydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-oxocyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-oxocyclooct-2-en-1-yl] tert-butylsulfanylformate (PubChem CID 161285698) has the molecular formula C184H320N4O48S4 and a molecular weight of 3484.83 g/mol. Its IUPAC name is tert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-hydroxycyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-hydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-hydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-oxocyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-oxocyclooct-2-en-1-yl] tert-butylsulfanylformate.

Molecular Properties

Compound Nametert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-hydroxycyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-hydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-hydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-oxocyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-oxocyclooct-2-en-1-yl] tert-butylsulfanylformate
PubChem CID161285698
Molecular FormulaC184H320N4O48S4
Molecular Weight3484.83 g/mol
Exact Mass3482.16
IUPAC Nametert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-hydroxycyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-hydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-hydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-oxocyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-oxocyclooct-2-en-1-yl] tert-butylsulfanylformate
SMILESCC(C)(C)NC(=O)OC1/C=C\C(O)CC(OC(C)(C)C)C(O)C1.CC(C)(C)NC(=O)OC1/C=C\CC(=O)CCC1.CC(C)(C)NC(=O)OC1/C=C\CC(O)CCC1.CC(C)(C)NC(=O)OC1/C=C\CC(OC(C)(C)C)CCC1.CC(C)(C)OC(=O)OC1/C=C\C(O)CC(O)C(OC(C)(C)C)C1.CC(C)(C)OC(=O)OC1/C=C\C(O)CC(OC(C)(C)C)C(O)C1.CC(C)(C)OC(=O)OC1/C=C\CC(O)CCC1.CC(C)(C)OC(=O)OC1/C=C\CC(OC(C)(C)C)CCC1.CC(C)(C)OC1C/C=C\C(OC(=O)SC(C)(C)C)CCC1.CC(C)(C)OC1CC(O)/C=C\C(OC(=O)SC(C)(C)C)CC1O.CC(C)(C)SC(=O)OC1/C=C\CC(=O)CCC1.CC(C)(C)SC(=O)OC1/C=C\CC(O)CCC1
InChIInChI=1S/C17H31NO5.C17H31NO3.2C17H30O6.C17H30O5S.C17H30O4.C17H30O3S.C13H23NO3.C13H21NO3.C13H22O4.C13H22O3S.C13H20O3S/c1-16(2,3)18-15(21)22-12-8-7-11(19)9-14(13(20)10-12)23-17(4,5)6;1-16(2,3)18-15(19)20-13-9-7-11-14(12-8-10-13)21-17(4,5)6;1-16(2,3)22-14-9-11(18)7-8-12(10-13(14)19)21-15(20)23-17(4,5)6;1-16(2,3)22-14-10-12(8-7-11(18)9-13(14)19)21-15(20)23-17(4,5)6;1-16(2,3)22-14-9-11(18)7-8-12(10-13(14)19)21-15(20)23-17(4,5)6;2*1-16(2,3)20-14-11-7-9-13(10-8-12-14)19-15(18)21-17(4,5)6;2*1-13(2,3)14-12(16)17-11-8-4-6-10(15)7-5-9-11;3*1-13(2,3)17-12(15)16-11-8-4-6-10(14)7-5-9-11/h7-8,11-14,19-20H,9-10H2,1-6H3,(H,18,21);7,9,13-14H,8,10-12H2,1-6H3,(H,18,19);3*7-8,11-14,18-19H,9-10H2,1-6H3;2*7,9,13-14H,8,10-12H2,1-6H3;4,8,10-11,15H,5-7,9H2,1-3H3,(H,14,16);4,8,11H,5-7,9H2,1-3H3,(H,14,16);2*4,8,10-11,14H,5-7,9H2,1-3H3;4,8,11H,5-7,9H2,1-3H3/b8-7-;9-7-;3*8-7-;2*9-7-;5*8-4-
InChIKeyVFRNIFIMYGWFRF-QNKKJIDQSA-N
XLogP39.67
TPSA721.92 Ų
H-Bond Donors15
H-Bond Acceptors52
Rotatable Bonds19
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003484.83
LogP ≤ 539.67
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze tert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-hydroxycyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-hydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-hydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-oxocyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-oxocyclooct-2-en-1-yl] tert-butylsulfanylformate with MolForge

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Related Compounds

tert-butyl [(2E)-cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,7-dihydroxy-6-methylcyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-hydroxycyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-methylcyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-oxocyclooct-2-en-1-yl] carbonate;tetrakis(carbon dioxide);[(2E)-cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-hydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-hydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;bis([(2E)-5-methylcyclooct-2-en-1-yl] N-tert-butylcarbamate);[(2E)-5-methylcyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-oxocyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-oxocyclooct-2-en-1-yl] tert-butylsulfanylformate
CID 157352533
tert-butyl [(2E)-cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-(2,2-dimethylpropanoyl)cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-oxocyclooct-2-en-1-yl] carbonate;tris(carbon dioxide);[(2E)-cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-(2,2-dimethylpropanoyl)cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-(2,2-dimethylpropanoyl)cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-oxocyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-oxocyclooct-2-en-1-yl] tert-butylsulfanylformate
CID 157481991
tert-butyl [(2E)-8-(3,3-dimethyl-2-oxobutyl)cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4-hydroxycyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-8-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-8-(3,3-dimethyl-2-oxobutyl)cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-8-(3,3-dimethyl-2-oxobutyl)cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4-hydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4-hydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-8-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-8-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate
CID 158866304
[(2E)-7-[1-[8-(tert-butylcarbamoyloxy)-3,5-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cycloocten-1-yl]-2-methylpropan-2-yl]oxy-4,6-dihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate
CID 155458459
CID 161047089
CID 161047089
tert-butyl [(6E)-2-tert-butyl-5,8-dihydro-4H-1,3-dioxocin-5-yl] carbonate;[(6E)-2-tert-butyl-5,8-dihydro-4H-1,3-dioxocin-5-yl] N-tert-butylcarbamate;[(6E)-2-tert-butyl-5,8-dihydro-4H-1,3-dioxocin-5-yl] tert-butylsulfanylformate;tert-butyl [(2E)-6-oxocyclooct-2-en-1-yl] carbonate;tert-butyl [(5E)-3,4,7,8-tetrahydro-2H-oxocin-4-yl] carbonate;[(2E)-6-hydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-6-oxocyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-6-oxocyclooct-2-en-1-yl] tert-butylsulfanylformate;[(5E)-3,4,7,8-tetrahydro-2H-oxocin-4-yl] N-tert-butylcarbamate;[(5E)-3,4,7,8-tetrahydro-2H-oxocin-4-yl] tert-butylsulfanylformate
CID 159025246
[(2E)-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 118458844
[(2E)-6-hydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate
CID 118458928
[(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 118547651
tert-butyl [(2E)-4-hydroxycyclooct-2-en-1-yl] carbonate
CID 118458845
[(2E)-4-(tert-butylcarbamoyloxy)-6,7-dihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 118547647
[(2E)-4-hydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate
CID 118460742

Frequently Asked Questions

What is the IUPAC name of tert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-hydroxycyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-hydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-hydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-oxocyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-oxocyclooct-2-en-1-yl] tert-butylsulfanylformate?
The IUPAC name of tert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-hydroxycyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-hydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-hydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-oxocyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-oxocyclooct-2-en-1-yl] tert-butylsulfanylformate (CID 161285698) is tert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-hydroxycyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-hydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-hydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-oxocyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-oxocyclooct-2-en-1-yl] tert-butylsulfanylformate.
What is the SMILES notation for tert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-hydroxycyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-hydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-hydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-oxocyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-oxocyclooct-2-en-1-yl] tert-butylsulfanylformate?
The canonical SMILES for tert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-hydroxycyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-hydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-hydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-oxocyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-oxocyclooct-2-en-1-yl] tert-butylsulfanylformate is CC(C)(C)NC(=O)OC1/C=C\C(O)CC(OC(C)(C)C)C(O)C1.CC(C)(C)NC(=O)OC1/C=C\CC(=O)CCC1.CC(C)(C)NC(=O)OC1/C=C\CC(O)CCC1.CC(C)(C)NC(=O)OC1/C=C\CC(OC(C)(C)C)CCC1.CC(C)(C)OC(=O)OC1/C=C\C(O)CC(O)C(OC(C)(C)C)C1.CC(C)(C)OC(=O)OC1/C=C\C(O)CC(OC(C)(C)C)C(O)C1.CC(C)(C)OC(=O)OC1/C=C\CC(O)CCC1.CC(C)(C)OC(=O)OC1/C=C\CC(OC(C)(C)C)CCC1.CC(C)(C)OC1C/C=C\C(OC(=O)SC(C)(C)C)CCC1.CC(C)(C)OC1CC(O)/C=C\C(OC(=O)SC(C)(C)C)CC1O.CC(C)(C)SC(=O)OC1/C=C\CC(=O)CCC1.CC(C)(C)SC(=O)OC1/C=C\CC(O)CCC1.
What is the InChIKey of tert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-hydroxycyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-hydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-hydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-oxocyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-oxocyclooct-2-en-1-yl] tert-butylsulfanylformate?
The InChIKey is VFRNIFIMYGWFRF-QNKKJIDQSA-N. The full InChI is InChI=1S/C17H31NO5.C17H31NO3.2C17H30O6.C17H30O5S.C17H30O4.C17H30O3S.C13H23NO3.C13H21NO3.C13H22O4.C13H22O3S.C13H20O3S/c1-16(2,3)18-15(21)22-12-8-7-11(19)9-14(13(20)10-12)23-17(4,5)6;1-16(2,3)18-15(19)20-13-9-7-11-14(12-8-10-13)21-17(4,5)6;1-16(2,3)22-14-9-11(18)7-8-12(10-13(14)19)21-15(20)23-17(4,5)6;1-16(2,3)22-14-10-12(8-7-11(18)9-13(14)19)21-15(20)23-17(4,5)6;1-16(2,3)22-14-9-11(18)7-8-12(10-13(14)19)21-15(20)23-17(4,5)6;2*1-16(2,3)20-14-11-7-9-13(10-8-12-14)19-15(18)21-17(4,5)6;2*1-13(2,3)14-12(16)17-11-8-4-6-10(15)7-5-9-11;3*1-13(2,3)17-12(15)16-11-8-4-6-10(14)7-5-9-11/h7-8,11-14,19-20H,9-10H2,1-6H3,(H,18,21);7,9,13-14H,8,10-12H2,1-6H3,(H,18,19);3*7-8,11-14,18-19H,9-10H2,1-6H3;2*7,9,13-14H,8,10-12H2,1-6H3;4,8,10-11,15H,5-7,9H2,1-3H3,(H,14,16);4,8,11H,5-7,9H2,1-3H3,(H,14,16);2*4,8,10-11,14H,5-7,9H2,1-3H3;4,8,11H,5-7,9H2,1-3H3/b8-7-;9-7-;3*8-7-;2*9-7-;5*8-4-.
What are the key properties of tert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-hydroxycyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-hydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-hydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-oxocyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-oxocyclooct-2-en-1-yl] tert-butylsulfanylformate?
tert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-hydroxycyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-hydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-hydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-oxocyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-oxocyclooct-2-en-1-yl] tert-butylsulfanylformate has a molecular weight of 3484.83 g/mol, XLogP of 39.67, 19 rotatable bonds, 15 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-hydroxycyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-hydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-hydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-5-oxocyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-5-oxocyclooct-2-en-1-yl] tert-butylsulfanylformate is sourced from PubChem (CID 161285698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).