[7-[11-[dimethoxy(methyl)silyl]undecyl-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyl]amino]-4-oxoheptyl] 2-methylprop-2-enoate

C32H58N2O8Si — CID 157495574

About [7-[11-[dimethoxy(methyl)silyl]undecyl-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyl]amino]-4-oxoheptyl] 2-methylprop-2-enoate

[7-[11-[dimethoxy(methyl)silyl]undecyl-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyl]amino]-4-oxoheptyl] 2-methylprop-2-enoate (PubChem CID 157495574) has the molecular formula C32H58N2O8Si and a molecular weight of 626.91 g/mol. Its IUPAC name is [7-[11-[dimethoxy(methyl)silyl]undecyl-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyl]amino]-4-oxoheptyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [7-[11-[dimethoxy(methyl)silyl]undecyl-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyl]amino]-4-oxoheptyl] 2-methylprop-2-enoate
• PubChem CID: 157495574
• Molecular Formula: C32H58N2O8Si
• Molecular Weight: 626.91 g/mol
• Exact Mass: 626.40
• IUPAC Name: [7-[11-[dimethoxy(methyl)silyl]undecyl-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyl]amino]-4-oxoheptyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCCC(=O)CCCN(CCCCCCCCCCC[Si](C)(OC)OC)C(=O)NCCOC(=O)C(=C)C
• InChI: InChI=1S/C32H58N2O8Si/c1-27(2)30(36)41-24-18-20-29(35)19-17-23-34(32(38)33-21-25-42-31(37)28(3)4)22-15-13-11-9-8-10-12-14-16-26-43(7,39-5)40-6/h1,3,8-26H2,2,4-7H3,(H,33,38)
• InChIKey: MCUKEPZBLVNCOE-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 120.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 27
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.91
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'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 [7-[11-[dimethoxy(methyl)silyl]undecyl-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyl]amino]-4-oxoheptyl] 2-methylprop-2-enoate?

The IUPAC name of [7-[11-[dimethoxy(methyl)silyl]undecyl-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyl]amino]-4-oxoheptyl] 2-methylprop-2-enoate (CID 157495574) is [7-[11-[dimethoxy(methyl)silyl]undecyl-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyl]amino]-4-oxoheptyl] 2-methylprop-2-enoate.

What is the SMILES notation for [7-[11-[dimethoxy(methyl)silyl]undecyl-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyl]amino]-4-oxoheptyl] 2-methylprop-2-enoate?

The canonical SMILES for [7-[11-[dimethoxy(methyl)silyl]undecyl-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyl]amino]-4-oxoheptyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC(=O)CCCN(CCCCCCCCCCC[Si](C)(OC)OC)C(=O)NCCOC(=O)C(=C)C.

What is the InChIKey of [7-[11-[dimethoxy(methyl)silyl]undecyl-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyl]amino]-4-oxoheptyl] 2-methylprop-2-enoate?

The InChIKey is MCUKEPZBLVNCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58N2O8Si/c1-27(2)30(36)41-24-18-20-29(35)19-17-23-34(32(38)33-21-25-42-31(37)28(3)4)22-15-13-11-9-8-10-12-14-16-26-43(7,39-5)40-6/h1,3,8-26H2,2,4-7H3,(H,33,38).

What are the key properties of [7-[11-[dimethoxy(methyl)silyl]undecyl-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyl]amino]-4-oxoheptyl] 2-methylprop-2-enoate?

[7-[11-[dimethoxy(methyl)silyl]undecyl-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyl]amino]-4-oxoheptyl] 2-methylprop-2-enoate has a molecular weight of 626.91 g/mol, XLogP of 6.24, 27 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [7-[11-[dimethoxy(methyl)silyl]undecyl-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyl]amino]-4-oxoheptyl] 2-methylprop-2-enoate is sourced from PubChem (CID 157495574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).