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

C191H317N5O49S4 — CID 157352533

IUPACtert-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
SMILESCC(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\CCCCC1.CC(C)(C)OC(=O)OC1/C=C\CC(=O)CCC1.CC(C)(C)OC(=O)OC1/C=C\CC(O)CCC1.CC(C)(C)OC(=O)OC1/C=C\CCCCC1.CC(C)(C)SC(=O)OC1/C=C\CC(=O)CCC1.CC(C)(C)SC(=O)OC1/C=C\CC(O)CCC1.CC(C)(C)SC(=O)OC1/C=C\CCCCC1.CC1C/C=C\C(OC(=O)NC(C)(C)C)CCC1.CC1C/C=C\C(OC(=O)NC(C)(C)C)CCC1.CC1C/C=C\C(OC(=O)OC(C)(C)C)CCC1.CC1C/C=C\C(OC(=O)SC(C)(C)C)CCC1.CC1CC(O)/C=C\C(OC(=O)OC(C)(C)C)CC1O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/2C14H25NO2.C14H24O5.C14H24O3.C14H24O2S.C13H23NO3.C13H21NO3.C13H23NO2.C13H22O4.C13H20O4.C13H22O3S.C13H20O3S.C13H22O3.C13H22O2S.4CO2/c2*1-11-7-5-9-12(10-6-8-11)17-13(16)15-14(2,3)4;1-9-7-10(15)5-6-11(8-12(9)16)18-13(17)19-14(2,3)4;2*1-11-7-5-9-12(10-6-8-11)16-13(15)17-14(2,3)4;2*1-13(2,3)14-12(16)17-11-8-4-6-10(15)7-5-9-11;1-13(2,3)14-12(15)16-11-9-7-5-4-6-8-10-11;4*1-13(2,3)17-12(15)16-11-8-4-6-10(14)7-5-9-11;2*1-13(2,3)16-12(14)15-11-9-7-5-4-6-8-10-11;4*2-1-3/h2*5,9,11-12H,6-8,10H2,1-4H3,(H,15,16);5-6,9-12,15-16H,7-8H2,1-4H3;2*5,9,11-12H,6-8,10H2,1-4H3;4,8,10-11,15H,5-7,9H2,1-3H3,(H,14,16);4,8,11H,5-7,9H2,1-3H3,(H,14,16);7,9,11H,4-6,8,10H2,1-3H3,(H,14,15);4,8,10-11,14H,5-7,9H2,1-3H3;4,8,11H,5-7,9H2,1-3H3;4,8,10-11,14H,5-7,9H2,1-3H3;4,8,11H,5-7,9H2,1-3H3;2*7,9,11H,4-6,8,10H2,1-3H3;;;;/b2*9-5-;6-5-;2*9-5-;2*8-4-;9-7-;4*8-4-;2*9-7-;;;;
InChIKeyBHRXYRMZSDLGSX-YCPXOYKYSA-N
MW3595.89 g/mol
LogP45.60
Rot. Bonds14

About 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

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 (PubChem CID 157352533) has the molecular formula C191H317N5O49S4 and a molecular weight of 3595.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID157352533
Molecular FormulaC191H317N5O49S4
Molecular Weight3595.89 g/mol
Exact Mass3593.14
IUPAC Nametert-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
SMILESCC(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\CCCCC1.CC(C)(C)OC(=O)OC1/C=C\CC(=O)CCC1.CC(C)(C)OC(=O)OC1/C=C\CC(O)CCC1.CC(C)(C)OC(=O)OC1/C=C\CCCCC1.CC(C)(C)SC(=O)OC1/C=C\CC(=O)CCC1.CC(C)(C)SC(=O)OC1/C=C\CC(O)CCC1.CC(C)(C)SC(=O)OC1/C=C\CCCCC1.CC1C/C=C\C(OC(=O)NC(C)(C)C)CCC1.CC1C/C=C\C(OC(=O)NC(C)(C)C)CCC1.CC1C/C=C\C(OC(=O)OC(C)(C)C)CCC1.CC1C/C=C\C(OC(=O)SC(C)(C)C)CCC1.CC1CC(O)/C=C\C(OC(=O)OC(C)(C)C)CC1O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/2C14H25NO2.C14H24O5.C14H24O3.C14H24O2S.C13H23NO3.C13H21NO3.C13H23NO2.C13H22O4.C13H20O4.C13H22O3S.C13H20O3S.C13H22O3.C13H22O2S.4CO2/c2*1-11-7-5-9-12(10-6-8-11)17-13(16)15-14(2,3)4;1-9-7-10(15)5-6-11(8-12(9)16)18-13(17)19-14(2,3)4;2*1-11-7-5-9-12(10-6-8-11)16-13(15)17-14(2,3)4;2*1-13(2,3)14-12(16)17-11-8-4-6-10(15)7-5-9-11;1-13(2,3)14-12(15)16-11-9-7-5-4-6-8-10-11;4*1-13(2,3)17-12(15)16-11-8-4-6-10(14)7-5-9-11;2*1-13(2,3)16-12(14)15-11-9-7-5-4-6-8-10-11;4*2-1-3/h2*5,9,11-12H,6-8,10H2,1-4H3,(H,15,16);5-6,9-12,15-16H,7-8H2,1-4H3;2*5,9,11-12H,6-8,10H2,1-4H3;4,8,10-11,15H,5-7,9H2,1-3H3,(H,14,16);4,8,11H,5-7,9H2,1-3H3,(H,14,16);7,9,11H,4-6,8,10H2,1-3H3,(H,14,15);4,8,10-11,14H,5-7,9H2,1-3H3;4,8,11H,5-7,9H2,1-3H3;4,8,10-11,14H,5-7,9H2,1-3H3;4,8,11H,5-7,9H2,1-3H3;2*7,9,11H,4-6,8,10H2,1-3H3;;;;/b2*9-5-;6-5-;2*9-5-;2*8-4-;9-7-;4*8-4-;2*9-7-;;;;
InChIKeyBHRXYRMZSDLGSX-YCPXOYKYSA-N
XLogP45.60
TPSA763.42 Ų
H-Bond Donors10
H-Bond Acceptors53
Rotatable Bonds14
Heavy Atoms249
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003595.89
LogP ≤ 545.60
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1053

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)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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\CCCCC1.CC(C)(C)OC(=O)OC1/C=C\CC(=O)CCC1.CC(C)(C)OC(=O)OC1/C=C\CC(O)CCC1.CC(C)(C)OC(=O)OC1/C=C\CCCCC1.CC(C)(C)SC(=O)OC1/C=C\CC(=O)CCC1.CC(C)(C)SC(=O)OC1/C=C\CC(O)CCC1.CC(C)(C)SC(=O)OC1/C=C\CCCCC1.CC1C/C=C\C(OC(=O)NC(C)(C)C)CCC1.CC1C/C=C\C(OC(=O)NC(C)(C)C)CCC1.CC1C/C=C\C(OC(=O)OC(C)(C)C)CCC1.CC1C/C=C\C(OC(=O)SC(C)(C)C)CCC1.CC1CC(O)/C=C\C(OC(=O)OC(C)(C)C)CC1O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 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?
The InChIKey is BHRXYRMZSDLGSX-YCPXOYKYSA-N. The full InChI is InChI=1S/2C14H25NO2.C14H24O5.C14H24O3.C14H24O2S.C13H23NO3.C13H21NO3.C13H23NO2.C13H22O4.C13H20O4.C13H22O3S.C13H20O3S.C13H22O3.C13H22O2S.4CO2/c2*1-11-7-5-9-12(10-6-8-11)17-13(16)15-14(2,3)4;1-9-7-10(15)5-6-11(8-12(9)16)18-13(17)19-14(2,3)4;2*1-11-7-5-9-12(10-6-8-11)16-13(15)17-14(2,3)4;2*1-13(2,3)14-12(16)17-11-8-4-6-10(15)7-5-9-11;1-13(2,3)14-12(15)16-11-9-7-5-4-6-8-10-11;4*1-13(2,3)17-12(15)16-11-8-4-6-10(14)7-5-9-11;2*1-13(2,3)16-12(14)15-11-9-7-5-4-6-8-10-11;4*2-1-3/h2*5,9,11-12H,6-8,10H2,1-4H3,(H,15,16);5-6,9-12,15-16H,7-8H2,1-4H3;2*5,9,11-12H,6-8,10H2,1-4H3;4,8,10-11,15H,5-7,9H2,1-3H3,(H,14,16);4,8,11H,5-7,9H2,1-3H3,(H,14,16);7,9,11H,4-6,8,10H2,1-3H3,(H,14,15);4,8,10-11,14H,5-7,9H2,1-3H3;4,8,11H,5-7,9H2,1-3H3;4,8,10-11,14H,5-7,9H2,1-3H3;4,8,11H,5-7,9H2,1-3H3;2*7,9,11H,4-6,8,10H2,1-3H3;;;;/b2*9-5-;6-5-;2*9-5-;2*8-4-;9-7-;4*8-4-;2*9-7-;;;;.
What are the key properties of 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?
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 has a molecular weight of 3595.89 g/mol, XLogP of 45.60, 14 rotatable bonds, 10 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157352533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).