[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propylcarbamoyloxymethyl]-5-oxo-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]hept-6-enyl] prop-2-enoate

C37H61NO14Si3 — CID 158985965

About [2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propylcarbamoyloxymethyl]-5-oxo-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]hept-6-enyl] prop-2-enoate

[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propylcarbamoyloxymethyl]-5-oxo-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]hept-6-enyl] prop-2-enoate (PubChem CID 158985965) has the molecular formula C37H61NO14Si3 and a molecular weight of 828.15 g/mol. Its IUPAC name is [2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propylcarbamoyloxymethyl]-5-oxo-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]hept-6-enyl] prop-2-enoate.

Molecular Properties

• Compound Name: [2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propylcarbamoyloxymethyl]-5-oxo-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]hept-6-enyl] prop-2-enoate
• PubChem CID: 158985965
• Molecular Formula: C37H61NO14Si3
• Molecular Weight: 828.15 g/mol
• Exact Mass: 827.34
• IUPAC Name: [2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propylcarbamoyloxymethyl]-5-oxo-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]hept-6-enyl] prop-2-enoate
• SMILES: C=CC(=O)CCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)NCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C
• InChI: InChI=1S/C37H61NO14Si3/c1-13-30(39)19-20-36(25-46-31(40)14-2,26-50-35(44)38-21-18-22-54(9,10)52-55(11,12)51-53(6,7)8)23-45-24-37(27-47-32(41)15-3,28-48-33(42)16-4)29-49-34(43)17-5/h13-17H,1-5,18-29H2,6-12H3,(H,38,44)
• InChIKey: JPONCKMDLNXJRJ-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 188.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 30
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	828.15
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propylcarbamoyloxymethyl]-5-oxo-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]hept-6-enyl] prop-2-enoate?

The IUPAC name of [2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propylcarbamoyloxymethyl]-5-oxo-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]hept-6-enyl] prop-2-enoate (CID 158985965) is [2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propylcarbamoyloxymethyl]-5-oxo-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]hept-6-enyl] prop-2-enoate.

What is the SMILES notation for [2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propylcarbamoyloxymethyl]-5-oxo-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]hept-6-enyl] prop-2-enoate?

The canonical SMILES for [2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propylcarbamoyloxymethyl]-5-oxo-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]hept-6-enyl] prop-2-enoate is C=CC(=O)CCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)NCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C.

What is the InChIKey of [2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propylcarbamoyloxymethyl]-5-oxo-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]hept-6-enyl] prop-2-enoate?

The InChIKey is JPONCKMDLNXJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H61NO14Si3/c1-13-30(39)19-20-36(25-46-31(40)14-2,26-50-35(44)38-21-18-22-54(9,10)52-55(11,12)51-53(6,7)8)23-45-24-37(27-47-32(41)15-3,28-48-33(42)16-4)29-49-34(43)17-5/h13-17H,1-5,18-29H2,6-12H3,(H,38,44).

What are the key properties of [2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propylcarbamoyloxymethyl]-5-oxo-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]hept-6-enyl] prop-2-enoate?

[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propylcarbamoyloxymethyl]-5-oxo-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]hept-6-enyl] prop-2-enoate has a molecular weight of 828.15 g/mol, XLogP of 5.32, 30 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propylcarbamoyloxymethyl]-5-oxo-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]hept-6-enyl] prop-2-enoate is sourced from PubChem (CID 158985965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).