[(2E)-4-(tert-butylcarbamoyloxy)-6,7-dihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;tert-butyl [(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4-tert-butylsulfanylcarbonyloxy-6,7-dihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;tert-butyl [(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] carbonate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate

C126H220N4O44S4 — CID 158639659

About [(2E)-4-(tert-butylcarbamoyloxy)-6,7-dihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;tert-butyl [(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4-tert-butylsulfanylcarbonyloxy-6,7-dihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;tert-butyl [(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] carbonate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate

[(2E)-4-(tert-butylcarbamoyloxy)-6,7-dihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;tert-butyl [(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4-tert-butylsulfanylcarbonyloxy-6,7-dihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;tert-butyl [(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] carbonate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate (PubChem CID 158639659) has the molecular formula C126H220N4O44S4 and a molecular weight of 2623.40 g/mol. Its IUPAC name is [(2E)-4-(tert-butylcarbamoyloxy)-6,7-dihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;tert-butyl [(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4-tert-butylsulfanylcarbonyloxy-6,7-dihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;tert-butyl [(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] carbonate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate.

Molecular Properties

• Compound Name: [(2E)-4-(tert-butylcarbamoyloxy)-6,7-dihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;tert-butyl [(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4-tert-butylsulfanylcarbonyloxy-6,7-dihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;tert-butyl [(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] carbonate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate
• PubChem CID: 158639659
• Molecular Formula: C126H220N4O44S4
• Molecular Weight: 2623.40 g/mol
• Exact Mass: 2621.40
• IUPAC Name: [(2E)-4-(tert-butylcarbamoyloxy)-6,7-dihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;tert-butyl [(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4-tert-butylsulfanylcarbonyloxy-6,7-dihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;tert-butyl [(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] carbonate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate
• SMILES: CC(C)(C)NC(=O)OC1/C=C\C(O)CC(O)C(O)C1.CC(C)(C)NC(=O)OC1/C=C\C(OC(=O)NC(C)(C)C)CC(O)C(O)C1.CC(C)(C)NC(=O)OC1/C=C\C(OC(C)(C)C)CC(O)C(O)C1.CC(C)(C)OC(=O)OC1/C=C\C(O)CC(O)C(O)C1.CC(C)(C)OC(=O)OC1/C=C\C(OC(C)(C)C)CC(O)C(O)C1.CC(C)(C)OC1/C=C\C(OC(=O)SC(C)(C)C)CC(O)C(O)C1.CC(C)(C)SC(=O)OC1/C=C\C(O)CC(O)C(O)C1.CC(C)(C)SC(=O)OC1/C=C\C(OC(=O)SC(C)(C)C)CC(O)C(O)C1
• InChI: InChI=1S/C18H32N2O6.C18H30O6S2.C17H31NO5.C17H30O6.C17H30O5S.C13H23NO5.C13H22O6.C13H22O5S/c1-17(2,3)19-15(23)25-11-7-8-12(10-14(22)13(21)9-11)26-16(24)20-18(4,5)6;1-17(2,3)25-15(21)23-11-7-8-12(10-14(20)13(19)9-11)24-16(22)26-18(4,5)6;1-16(2,3)18-15(21)22-11-7-8-12(23-17(4,5)6)10-14(20)13(19)9-11;2*1-16(2,3)22-12-8-7-11(9-13(18)14(19)10-12)21-15(20)23-17(4,5)6;1-13(2,3)14-12(18)19-9-5-4-8(15)6-10(16)11(17)7-9;2*1-13(2,3)19-12(17)18-9-5-4-8(14)6-10(15)11(16)7-9/h7-8,11-14,21-22H,9-10H2,1-6H3,(H,19,23)(H,20,24);7-8,11-14,19-20H,9-10H2,1-6H3;7-8,11-14,19-20H,9-10H2,1-6H3,(H,18,21);2*7-8,11-14,18-19H,9-10H2,1-6H3;4-5,8-11,15-17H,6-7H2,1-3H3,(H,14,18);2*4-5,8-11,14-16H,6-7H2,1-3H3/b5*8-7-;3*5-4-
• InChIKey: IAFHYJYDJUBVAR-HLPRZNRLSA-N
• XLogP: 16.46
• TPSA: 741.64 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 48
• Rotatable Bonds: 13
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2623.40
LogP ≤ 5	16.46
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	48

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'}

Frequently Asked Questions

What is the IUPAC name of [(2E)-4-(tert-butylcarbamoyloxy)-6,7-dihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;tert-butyl [(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4-tert-butylsulfanylcarbonyloxy-6,7-dihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;tert-butyl [(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] carbonate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate?

The IUPAC name of [(2E)-4-(tert-butylcarbamoyloxy)-6,7-dihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;tert-butyl [(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4-tert-butylsulfanylcarbonyloxy-6,7-dihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;tert-butyl [(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] carbonate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate (CID 158639659) is [(2E)-4-(tert-butylcarbamoyloxy)-6,7-dihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;tert-butyl [(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4-tert-butylsulfanylcarbonyloxy-6,7-dihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;tert-butyl [(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] carbonate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate.

What is the SMILES notation for [(2E)-4-(tert-butylcarbamoyloxy)-6,7-dihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;tert-butyl [(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4-tert-butylsulfanylcarbonyloxy-6,7-dihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;tert-butyl [(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] carbonate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate?

The canonical SMILES for [(2E)-4-(tert-butylcarbamoyloxy)-6,7-dihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;tert-butyl [(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4-tert-butylsulfanylcarbonyloxy-6,7-dihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;tert-butyl [(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] carbonate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate is CC(C)(C)NC(=O)OC1/C=C\C(O)CC(O)C(O)C1.CC(C)(C)NC(=O)OC1/C=C\C(OC(=O)NC(C)(C)C)CC(O)C(O)C1.CC(C)(C)NC(=O)OC1/C=C\C(OC(C)(C)C)CC(O)C(O)C1.CC(C)(C)OC(=O)OC1/C=C\C(O)CC(O)C(O)C1.CC(C)(C)OC(=O)OC1/C=C\C(OC(C)(C)C)CC(O)C(O)C1.CC(C)(C)OC1/C=C\C(OC(=O)SC(C)(C)C)CC(O)C(O)C1.CC(C)(C)SC(=O)OC1/C=C\C(O)CC(O)C(O)C1.CC(C)(C)SC(=O)OC1/C=C\C(OC(=O)SC(C)(C)C)CC(O)C(O)C1.

What is the InChIKey of [(2E)-4-(tert-butylcarbamoyloxy)-6,7-dihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;tert-butyl [(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4-tert-butylsulfanylcarbonyloxy-6,7-dihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;tert-butyl [(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] carbonate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate?

The InChIKey is IAFHYJYDJUBVAR-HLPRZNRLSA-N. The full InChI is InChI=1S/C18H32N2O6.C18H30O6S2.C17H31NO5.C17H30O6.C17H30O5S.C13H23NO5.C13H22O6.C13H22O5S/c1-17(2,3)19-15(23)25-11-7-8-12(10-14(22)13(21)9-11)26-16(24)20-18(4,5)6;1-17(2,3)25-15(21)23-11-7-8-12(10-14(20)13(19)9-11)24-16(22)26-18(4,5)6;1-16(2,3)18-15(21)22-11-7-8-12(23-17(4,5)6)10-14(20)13(19)9-11;2*1-16(2,3)22-12-8-7-11(9-13(18)14(19)10-12)21-15(20)23-17(4,5)6;1-13(2,3)14-12(18)19-9-5-4-8(15)6-10(16)11(17)7-9;2*1-13(2,3)19-12(17)18-9-5-4-8(14)6-10(15)11(16)7-9/h7-8,11-14,21-22H,9-10H2,1-6H3,(H,19,23)(H,20,24);7-8,11-14,19-20H,9-10H2,1-6H3;7-8,11-14,19-20H,9-10H2,1-6H3,(H,18,21);2*7-8,11-14,18-19H,9-10H2,1-6H3;4-5,8-11,15-17H,6-7H2,1-3H3,(H,14,18);2*4-5,8-11,14-16H,6-7H2,1-3H3/b5*8-7-;3*5-4-.

What are the key properties of [(2E)-4-(tert-butylcarbamoyloxy)-6,7-dihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;tert-butyl [(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4-tert-butylsulfanylcarbonyloxy-6,7-dihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;tert-butyl [(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] carbonate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate?

[(2E)-4-(tert-butylcarbamoyloxy)-6,7-dihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;tert-butyl [(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4-tert-butylsulfanylcarbonyloxy-6,7-dihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;tert-butyl [(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] carbonate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate has a molecular weight of 2623.40 g/mol, XLogP of 16.46, 13 rotatable bonds, 23 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for [(2E)-4-(tert-butylcarbamoyloxy)-6,7-dihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;tert-butyl [(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4-tert-butylsulfanylcarbonyloxy-6,7-dihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;tert-butyl [(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] carbonate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,6,7-trihydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate is sourced from PubChem (CID 158639659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).