[(2R,4E,6E,10R,11R,12E,14R,18E)-2-[(2R,3E,5E)-4,10-dimethyl-8-oxoundeca-3,5,9-trien-2-yl]-4,11-dimethyl-20-oxo-14-(2-trimethylsilylethoxymethoxy)-1-oxacycloicosa-4,6,12,18-tetraen-10-yl] carbamate

C41H65NO7Si — CID 159671853

About [(2R,4E,6E,10R,11R,12E,14R,18E)-2-[(2R,3E,5E)-4,10-dimethyl-8-oxoundeca-3,5,9-trien-2-yl]-4,11-dimethyl-20-oxo-14-(2-trimethylsilylethoxymethoxy)-1-oxacycloicosa-4,6,12,18-tetraen-10-yl] carbamate

[(2R,4E,6E,10R,11R,12E,14R,18E)-2-[(2R,3E,5E)-4,10-dimethyl-8-oxoundeca-3,5,9-trien-2-yl]-4,11-dimethyl-20-oxo-14-(2-trimethylsilylethoxymethoxy)-1-oxacycloicosa-4,6,12,18-tetraen-10-yl] carbamate (PubChem CID 159671853) has the molecular formula C41H65NO7Si and a molecular weight of 712.06 g/mol. Its IUPAC name is [(2R,4E,6E,10R,11R,12E,14R,18E)-2-[(2R,3E,5E)-4,10-dimethyl-8-oxoundeca-3,5,9-trien-2-yl]-4,11-dimethyl-20-oxo-14-(2-trimethylsilylethoxymethoxy)-1-oxacycloicosa-4,6,12,18-tetraen-10-yl] carbamate.

Molecular Properties

• Compound Name: [(2R,4E,6E,10R,11R,12E,14R,18E)-2-[(2R,3E,5E)-4,10-dimethyl-8-oxoundeca-3,5,9-trien-2-yl]-4,11-dimethyl-20-oxo-14-(2-trimethylsilylethoxymethoxy)-1-oxacycloicosa-4,6,12,18-tetraen-10-yl] carbamate
• PubChem CID: 159671853
• Molecular Formula: C41H65NO7Si
• Molecular Weight: 712.06 g/mol
• Exact Mass: 711.45
• IUPAC Name: [(2R,4E,6E,10R,11R,12E,14R,18E)-2-[(2R,3E,5E)-4,10-dimethyl-8-oxoundeca-3,5,9-trien-2-yl]-4,11-dimethyl-20-oxo-14-(2-trimethylsilylethoxymethoxy)-1-oxacycloicosa-4,6,12,18-tetraen-10-yl] carbamate
• SMILES: CC(C)=CC(=O)C/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C/C=C/CC[C@@H](OC(N)=O)[C@H](C)/C=C/[C@H](OCOCC[Si](C)(C)C)CCC/C=C/C(=O)O1
• InChI: InChI=1S/C41H65NO7Si/c1-31(2)27-36(43)19-16-18-32(3)28-35(6)39-29-33(4)17-12-10-14-21-38(49-41(42)45)34(5)23-24-37(20-13-11-15-22-40(44)48-39)47-30-46-25-26-50(7,8)9/h10,12,15-18,22-24,27-28,34-35,37-39H,11,13-14,19-21,25-26,29-30H2,1-9H3,(H2,42,45)/b12-10+,18-16+,22-15+,24-23+,32-28+,33-17+/t34-,35-,37-,38-,39-/m1/s1
• InChIKey: FWAUGRKHHFWIFB-CPQHYILISA-N
• XLogP: 9.73
• TPSA: 114.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.06
LogP ≤ 5	9.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,4E,6E,10R,11R,12E,14R,18E)-2-[(2R,3E,5E)-4,10-dimethyl-8-oxoundeca-3,5,9-trien-2-yl]-4,11-dimethyl-20-oxo-14-(2-trimethylsilylethoxymethoxy)-1-oxacycloicosa-4,6,12,18-tetraen-10-yl] carbamate?

The IUPAC name of [(2R,4E,6E,10R,11R,12E,14R,18E)-2-[(2R,3E,5E)-4,10-dimethyl-8-oxoundeca-3,5,9-trien-2-yl]-4,11-dimethyl-20-oxo-14-(2-trimethylsilylethoxymethoxy)-1-oxacycloicosa-4,6,12,18-tetraen-10-yl] carbamate (CID 159671853) is [(2R,4E,6E,10R,11R,12E,14R,18E)-2-[(2R,3E,5E)-4,10-dimethyl-8-oxoundeca-3,5,9-trien-2-yl]-4,11-dimethyl-20-oxo-14-(2-trimethylsilylethoxymethoxy)-1-oxacycloicosa-4,6,12,18-tetraen-10-yl] carbamate.

What is the SMILES notation for [(2R,4E,6E,10R,11R,12E,14R,18E)-2-[(2R,3E,5E)-4,10-dimethyl-8-oxoundeca-3,5,9-trien-2-yl]-4,11-dimethyl-20-oxo-14-(2-trimethylsilylethoxymethoxy)-1-oxacycloicosa-4,6,12,18-tetraen-10-yl] carbamate?

The canonical SMILES for [(2R,4E,6E,10R,11R,12E,14R,18E)-2-[(2R,3E,5E)-4,10-dimethyl-8-oxoundeca-3,5,9-trien-2-yl]-4,11-dimethyl-20-oxo-14-(2-trimethylsilylethoxymethoxy)-1-oxacycloicosa-4,6,12,18-tetraen-10-yl] carbamate is CC(C)=CC(=O)C/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C/C=C/CC[C@@H](OC(N)=O)[C@H](C)/C=C/[C@H](OCOCC[Si](C)(C)C)CCC/C=C/C(=O)O1.

What is the InChIKey of [(2R,4E,6E,10R,11R,12E,14R,18E)-2-[(2R,3E,5E)-4,10-dimethyl-8-oxoundeca-3,5,9-trien-2-yl]-4,11-dimethyl-20-oxo-14-(2-trimethylsilylethoxymethoxy)-1-oxacycloicosa-4,6,12,18-tetraen-10-yl] carbamate?

The InChIKey is FWAUGRKHHFWIFB-CPQHYILISA-N. The full InChI is InChI=1S/C41H65NO7Si/c1-31(2)27-36(43)19-16-18-32(3)28-35(6)39-29-33(4)17-12-10-14-21-38(49-41(42)45)34(5)23-24-37(20-13-11-15-22-40(44)48-39)47-30-46-25-26-50(7,8)9/h10,12,15-18,22-24,27-28,34-35,37-39H,11,13-14,19-21,25-26,29-30H2,1-9H3,(H2,42,45)/b12-10+,18-16+,22-15+,24-23+,32-28+,33-17+/t34-,35-,37-,38-,39-/m1/s1.

What are the key properties of [(2R,4E,6E,10R,11R,12E,14R,18E)-2-[(2R,3E,5E)-4,10-dimethyl-8-oxoundeca-3,5,9-trien-2-yl]-4,11-dimethyl-20-oxo-14-(2-trimethylsilylethoxymethoxy)-1-oxacycloicosa-4,6,12,18-tetraen-10-yl] carbamate?

[(2R,4E,6E,10R,11R,12E,14R,18E)-2-[(2R,3E,5E)-4,10-dimethyl-8-oxoundeca-3,5,9-trien-2-yl]-4,11-dimethyl-20-oxo-14-(2-trimethylsilylethoxymethoxy)-1-oxacycloicosa-4,6,12,18-tetraen-10-yl] carbamate has a molecular weight of 712.06 g/mol, XLogP of 9.73, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4E,6E,10R,11R,12E,14R,18E)-2-[(2R,3E,5E)-4,10-dimethyl-8-oxoundeca-3,5,9-trien-2-yl]-4,11-dimethyl-20-oxo-14-(2-trimethylsilylethoxymethoxy)-1-oxacycloicosa-4,6,12,18-tetraen-10-yl] carbamate is sourced from PubChem (CID 159671853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).