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

C198H346N4O40S4 — CID 158866304

IUPACtert-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
SMILESCC(C)(C)NC(=O)OC1/C=C\C(O)CCCC1.CC(C)(C)NC(=O)OC1/C=C\C(OC(C)(C)C)CCCC1.CC(C)(C)NC(=O)OC1/C=C\CCCCC1CC(=O)C(C)(C)C.CC(C)(C)NC(=O)OC1/C=C\CCCCC1OC(C)(C)C.CC(C)(C)OC(=O)OC1/C=C\C(O)CCCC1.CC(C)(C)OC(=O)OC1/C=C\C(OC(C)(C)C)CCCC1.CC(C)(C)OC(=O)OC1/C=C\CCCCC1CC(=O)C(C)(C)C.CC(C)(C)OC(=O)OC1/C=C\CCCCC1OC(C)(C)C.CC(C)(C)OC1/C=C\C(OC(=O)SC(C)(C)C)CCCC1.CC(C)(C)OC1CCCC/C=C\C1OC(=O)SC(C)(C)C.CC(C)(C)SC(=O)OC1/C=C\C(O)CCCC1.CC(C)(C)SC(=O)OC1/C=C\CCCCC1CC(=O)C(C)(C)C
InChIInChI=1S/C19H33NO3.C19H32O4.C19H32O3S.2C17H31NO3.2C17H30O4.2C17H30O3S.C13H23NO3.C13H22O4.C13H22O3S/c1-18(2,3)16(21)13-14-11-9-7-8-10-12-15(14)23-17(22)20-19(4,5)6;2*1-18(2,3)16(20)13-14-11-9-7-8-10-12-15(14)22-17(21)23-19(4,5)6;1-16(2,3)18-15(19)20-13-9-7-8-10-14(12-11-13)21-17(4,5)6;1-16(2,3)18-15(19)20-13-11-9-7-8-10-12-14(13)21-17(4,5)6;1-16(2,3)20-14-10-8-7-9-13(11-12-14)19-15(18)21-17(4,5)6;1-16(2,3)20-14-12-10-8-7-9-11-13(14)19-15(18)21-17(4,5)6;1-16(2,3)20-14-10-8-7-9-13(11-12-14)19-15(18)21-17(4,5)6;1-16(2,3)20-14-12-10-8-7-9-11-13(14)19-15(18)21-17(4,5)6;1-13(2,3)14-12(16)17-11-7-5-4-6-10(15)8-9-11;2*1-13(2,3)17-12(15)16-11-7-5-4-6-10(14)8-9-11/h10,12,14-15H,7-9,11,13H2,1-6H3,(H,20,22);2*10,12,14-15H,7-9,11,13H2,1-6H3;11-14H,7-10H2,1-6H3,(H,18,19);9,11,13-14H,7-8,10,12H2,1-6H3,(H,18,19);11-14H,7-10H2,1-6H3;9,11,13-14H,7-8,10,12H2,1-6H3;11-14H,7-10H2,1-6H3;9,11,13-14H,7-8,10,12H2,1-6H3;8-11,15H,4-7H2,1-3H3,(H,14,16);2*8-11,14H,4-7H2,1-3H3/b3*12-10-;12-11-;11-9-;12-11-;11-9-;12-11-;11-9-;3*9-8-
InChIKeyJBGSTRBMECYIDL-FOXJKQSJSA-N
MW3551.20 g/mol
LogP52.45
Rot. Bonds24

About 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

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 (PubChem CID 158866304) has the molecular formula C198H346N4O40S4 and a molecular weight of 3551.20 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID158866304
Molecular FormulaC198H346N4O40S4
Molecular Weight3551.20 g/mol
Exact Mass3548.40
IUPAC Nametert-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
SMILESCC(C)(C)NC(=O)OC1/C=C\C(O)CCCC1.CC(C)(C)NC(=O)OC1/C=C\C(OC(C)(C)C)CCCC1.CC(C)(C)NC(=O)OC1/C=C\CCCCC1CC(=O)C(C)(C)C.CC(C)(C)NC(=O)OC1/C=C\CCCCC1OC(C)(C)C.CC(C)(C)OC(=O)OC1/C=C\C(O)CCCC1.CC(C)(C)OC(=O)OC1/C=C\C(OC(C)(C)C)CCCC1.CC(C)(C)OC(=O)OC1/C=C\CCCCC1CC(=O)C(C)(C)C.CC(C)(C)OC(=O)OC1/C=C\CCCCC1OC(C)(C)C.CC(C)(C)OC1/C=C\C(OC(=O)SC(C)(C)C)CCCC1.CC(C)(C)OC1CCCC/C=C\C1OC(=O)SC(C)(C)C.CC(C)(C)SC(=O)OC1/C=C\C(O)CCCC1.CC(C)(C)SC(=O)OC1/C=C\CCCCC1CC(=O)C(C)(C)C
InChIInChI=1S/C19H33NO3.C19H32O4.C19H32O3S.2C17H31NO3.2C17H30O4.2C17H30O3S.C13H23NO3.C13H22O4.C13H22O3S/c1-18(2,3)16(21)13-14-11-9-7-8-10-12-15(14)23-17(22)20-19(4,5)6;2*1-18(2,3)16(20)13-14-11-9-7-8-10-12-15(14)22-17(21)23-19(4,5)6;1-16(2,3)18-15(19)20-13-9-7-8-10-14(12-11-13)21-17(4,5)6;1-16(2,3)18-15(19)20-13-11-9-7-8-10-12-14(13)21-17(4,5)6;1-16(2,3)20-14-10-8-7-9-13(11-12-14)19-15(18)21-17(4,5)6;1-16(2,3)20-14-12-10-8-7-9-11-13(14)19-15(18)21-17(4,5)6;1-16(2,3)20-14-10-8-7-9-13(11-12-14)19-15(18)21-17(4,5)6;1-16(2,3)20-14-12-10-8-7-9-11-13(14)19-15(18)21-17(4,5)6;1-13(2,3)14-12(16)17-11-7-5-4-6-10(15)8-9-11;2*1-13(2,3)17-12(15)16-11-7-5-4-6-10(14)8-9-11/h10,12,14-15H,7-9,11,13H2,1-6H3,(H,20,22);2*10,12,14-15H,7-9,11,13H2,1-6H3;11-14H,7-10H2,1-6H3,(H,18,19);9,11,13-14H,7-8,10,12H2,1-6H3,(H,18,19);11-14H,7-10H2,1-6H3;9,11,13-14H,7-8,10,12H2,1-6H3;11-14H,7-10H2,1-6H3;9,11,13-14H,7-8,10,12H2,1-6H3;8-11,15H,4-7H2,1-3H3,(H,14,16);2*8-11,14H,4-7H2,1-3H3/b3*12-10-;12-11-;11-9-;12-11-;11-9-;12-11-;11-9-;3*9-8-
InChIKeyJBGSTRBMECYIDL-FOXJKQSJSA-N
XLogP52.45
TPSA567.92 Ų
H-Bond Donors7
H-Bond Acceptors44
Rotatable Bonds24
Heavy Atoms246
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003551.20
LogP ≤ 552.45
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1044

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)-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 with MolForge

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Launch Full Analysis

Related Compounds

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)-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
CID 161047089
CID 161047089
tert-butyl [(2E)-4-hydroxycyclooct-2-en-1-yl] carbonate
CID 118458845
[(2E)-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 118458844
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
[(2E)-8-[2-(tert-butylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-methylcarbamate
CID 118460764
[(2E)-8-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] ethylsulfanylformate
CID 122495990
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)-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
[(2E)-6-hydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate
CID 118458928
[(2E)-6-(2,2-dimethylpropanoyl)cyclooct-2-en-1-yl] tert-butylsulfanylformate
CID 118458936

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)NC(=O)OC1/C=C\C(O)CCCC1.CC(C)(C)NC(=O)OC1/C=C\C(OC(C)(C)C)CCCC1.CC(C)(C)NC(=O)OC1/C=C\CCCCC1CC(=O)C(C)(C)C.CC(C)(C)NC(=O)OC1/C=C\CCCCC1OC(C)(C)C.CC(C)(C)OC(=O)OC1/C=C\C(O)CCCC1.CC(C)(C)OC(=O)OC1/C=C\C(OC(C)(C)C)CCCC1.CC(C)(C)OC(=O)OC1/C=C\CCCCC1CC(=O)C(C)(C)C.CC(C)(C)OC(=O)OC1/C=C\CCCCC1OC(C)(C)C.CC(C)(C)OC1/C=C\C(OC(=O)SC(C)(C)C)CCCC1.CC(C)(C)OC1CCCC/C=C\C1OC(=O)SC(C)(C)C.CC(C)(C)SC(=O)OC1/C=C\C(O)CCCC1.CC(C)(C)SC(=O)OC1/C=C\CCCCC1CC(=O)C(C)(C)C.
What is the InChIKey of 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?
The InChIKey is JBGSTRBMECYIDL-FOXJKQSJSA-N. The full InChI is InChI=1S/C19H33NO3.C19H32O4.C19H32O3S.2C17H31NO3.2C17H30O4.2C17H30O3S.C13H23NO3.C13H22O4.C13H22O3S/c1-18(2,3)16(21)13-14-11-9-7-8-10-12-15(14)23-17(22)20-19(4,5)6;2*1-18(2,3)16(20)13-14-11-9-7-8-10-12-15(14)22-17(21)23-19(4,5)6;1-16(2,3)18-15(19)20-13-9-7-8-10-14(12-11-13)21-17(4,5)6;1-16(2,3)18-15(19)20-13-11-9-7-8-10-12-14(13)21-17(4,5)6;1-16(2,3)20-14-10-8-7-9-13(11-12-14)19-15(18)21-17(4,5)6;1-16(2,3)20-14-12-10-8-7-9-11-13(14)19-15(18)21-17(4,5)6;1-16(2,3)20-14-10-8-7-9-13(11-12-14)19-15(18)21-17(4,5)6;1-16(2,3)20-14-12-10-8-7-9-11-13(14)19-15(18)21-17(4,5)6;1-13(2,3)14-12(16)17-11-7-5-4-6-10(15)8-9-11;2*1-13(2,3)17-12(15)16-11-7-5-4-6-10(14)8-9-11/h10,12,14-15H,7-9,11,13H2,1-6H3,(H,20,22);2*10,12,14-15H,7-9,11,13H2,1-6H3;11-14H,7-10H2,1-6H3,(H,18,19);9,11,13-14H,7-8,10,12H2,1-6H3,(H,18,19);11-14H,7-10H2,1-6H3;9,11,13-14H,7-8,10,12H2,1-6H3;11-14H,7-10H2,1-6H3;9,11,13-14H,7-8,10,12H2,1-6H3;8-11,15H,4-7H2,1-3H3,(H,14,16);2*8-11,14H,4-7H2,1-3H3/b3*12-10-;12-11-;11-9-;12-11-;11-9-;12-11-;11-9-;3*9-8-.
What are the key properties of 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?
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 has a molecular weight of 3551.20 g/mol, XLogP of 52.45, 24 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158866304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).