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

C133H224N4O36S3 — CID 159025246

About 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

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 (PubChem CID 159025246) has the molecular formula C133H224N4O36S3 and a molecular weight of 2551.45 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159025246
• Molecular Formula: C133H224N4O36S3
• Molecular Weight: 2551.45 g/mol
• Exact Mass: 2549.50
• IUPAC Name: 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
• SMILES: CC(C)(C)NC(=O)OC1/C=C\CCC(=O)CC1.CC(C)(C)NC(=O)OC1/C=C\CCC(O)CC1.CC(C)(C)NC(=O)OC1/C=C\CCOCC1.CC(C)(C)NC(=O)OC1/C=C\COC(C(C)(C)C)OC1.CC(C)(C)OC(=O)OC1/C=C\CCC(=O)CC1.CC(C)(C)OC(=O)OC1/C=C\CCOCC1.CC(C)(C)OC(=O)OC1/C=C\COC(C(C)(C)C)OC1.CC(C)(C)SC(=O)OC1/C=C\CCC(=O)CC1.CC(C)(C)SC(=O)OC1/C=C\CCOCC1.CC(C)(C)SC(=O)OC1/C=C\COC(C(C)(C)C)OC1
• InChI: InChI=1S/C15H27NO4.C15H26O5.C15H26O4S.C13H23NO3.C13H21NO3.C13H20O4.C13H20O3S.C12H21NO3.C12H20O4.C12H20O3S/c1-14(2,3)12-18-9-7-8-11(10-19-12)20-13(17)16-15(4,5)6;2*1-14(2,3)12-17-9-7-8-11(10-18-12)19-13(16)20-15(4,5)6;2*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;1-12(2,3)13-11(14)16-10-6-4-5-8-15-9-7-10;2*1-12(2,3)16-11(13)15-10-6-4-5-8-14-9-7-10/h7-8,11-12H,9-10H2,1-6H3,(H,16,17);2*7-8,11-12H,9-10H2,1-6H3;5,7,10-11,15H,4,6,8-9H2,1-3H3,(H,14,16);5,7,11H,4,6,8-9H2,1-3H3,(H,14,16);2*5,7,11H,4,6,8-9H2,1-3H3;4,6,10H,5,7-9H2,1-3H3,(H,13,14);2*4,6,10H,5,7-9H2,1-3H3/b3*8-7-;4*7-5-;3*6-4-
• InChIKey: JUEWIMJXYGBFHC-SGHLNZILSA-N
• XLogP: 30.12
• TPSA: 493.32 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 10
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2551.45
LogP ≤ 5	30.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

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 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)NC(=O)OC1/C=C\CCC(=O)CC1.CC(C)(C)NC(=O)OC1/C=C\CCC(O)CC1.CC(C)(C)NC(=O)OC1/C=C\CCOCC1.CC(C)(C)NC(=O)OC1/C=C\COC(C(C)(C)C)OC1.CC(C)(C)OC(=O)OC1/C=C\CCC(=O)CC1.CC(C)(C)OC(=O)OC1/C=C\CCOCC1.CC(C)(C)OC(=O)OC1/C=C\COC(C(C)(C)C)OC1.CC(C)(C)SC(=O)OC1/C=C\CCC(=O)CC1.CC(C)(C)SC(=O)OC1/C=C\CCOCC1.CC(C)(C)SC(=O)OC1/C=C\COC(C(C)(C)C)OC1.

What is the InChIKey of 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?

The InChIKey is JUEWIMJXYGBFHC-SGHLNZILSA-N. The full InChI is InChI=1S/C15H27NO4.C15H26O5.C15H26O4S.C13H23NO3.C13H21NO3.C13H20O4.C13H20O3S.C12H21NO3.C12H20O4.C12H20O3S/c1-14(2,3)12-18-9-7-8-11(10-19-12)20-13(17)16-15(4,5)6;2*1-14(2,3)12-17-9-7-8-11(10-18-12)19-13(16)20-15(4,5)6;2*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;1-12(2,3)13-11(14)16-10-6-4-5-8-15-9-7-10;2*1-12(2,3)16-11(13)15-10-6-4-5-8-14-9-7-10/h7-8,11-12H,9-10H2,1-6H3,(H,16,17);2*7-8,11-12H,9-10H2,1-6H3;5,7,10-11,15H,4,6,8-9H2,1-3H3,(H,14,16);5,7,11H,4,6,8-9H2,1-3H3,(H,14,16);2*5,7,11H,4,6,8-9H2,1-3H3;4,6,10H,5,7-9H2,1-3H3,(H,13,14);2*4,6,10H,5,7-9H2,1-3H3/b3*8-7-;4*7-5-;3*6-4-.

What are the key properties of 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?

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 has a molecular weight of 2551.45 g/mol, XLogP of 30.12, 10 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159025246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).