[2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate

C29H47NO7Si2 — CID 153496127

About [2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate

[2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate (PubChem CID 153496127) has the molecular formula C29H47NO7Si2 and a molecular weight of 577.87 g/mol. Its IUPAC name is [2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate.

Molecular Properties

• Compound Name: [2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate
• PubChem CID: 153496127
• Molecular Formula: C29H47NO7Si2
• Molecular Weight: 577.87 g/mol
• Exact Mass: 577.29
• IUPAC Name: [2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate
• SMILES: C=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)OCCOCCC[Si](C)(C)c1ccc([Si](C)(C)CCC)cc1
• InChI: InChI=1S/C29H47NO7Si2/c1-9-20-38(5,6)24-13-15-25(16-14-24)39(7,8)21-12-17-34-18-19-35-28(33)30-29(4,22-36-26(31)10-2)23-37-27(32)11-3/h10-11,13-16H,2-3,9,12,17-23H2,1,4-8H3,(H,30,33)
• InChIKey: NFADTDYSTWIHNP-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 100.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.87
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate?

The IUPAC name of [2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate (CID 153496127) is [2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate.

What is the SMILES notation for [2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate?

The canonical SMILES for [2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate is C=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)OCCOCCC[Si](C)(C)c1ccc([Si](C)(C)CCC)cc1.

What is the InChIKey of [2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate?

The InChIKey is NFADTDYSTWIHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H47NO7Si2/c1-9-20-38(5,6)24-13-15-25(16-14-24)39(7,8)21-12-17-34-18-19-35-28(33)30-29(4,22-36-26(31)10-2)23-37-27(32)11-3/h10-11,13-16H,2-3,9,12,17-23H2,1,4-8H3,(H,30,33).

What are the key properties of [2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate?

[2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate has a molecular weight of 577.87 g/mol, XLogP of 4.28, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate is sourced from PubChem (CID 153496127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).