N-[3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]propyl]-2-oxopropanimidoyl chloride

C19H30ClNO3Si — CID 10762555

About N-[3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]propyl]-2-oxopropanimidoyl chloride

N-[3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]propyl]-2-oxopropanimidoyl chloride (PubChem CID 10762555) has the molecular formula C19H30ClNO3Si and a molecular weight of 383.99 g/mol. Its IUPAC name is N-[3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]propyl]-2-oxopropanimidoyl chloride.

Molecular Properties

• Compound Name: N-[3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]propyl]-2-oxopropanimidoyl chloride
• PubChem CID: 10762555
• Molecular Formula: C19H30ClNO3Si
• Molecular Weight: 383.99 g/mol
• Exact Mass: 383.17
• IUPAC Name: N-[3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]propyl]-2-oxopropanimidoyl chloride
• SMILES: COc1cc(O[Si](C)(C)C(C)(C)C)ccc1CCC/N=C(\Cl)C(C)=O
• InChI: InChI=1S/C19H30ClNO3Si/c1-14(22)18(20)21-12-8-9-15-10-11-16(13-17(15)23-5)24-25(6,7)19(2,3)4/h10-11,13H,8-9,12H2,1-7H3/b21-18-
• InChIKey: HPRPTAZBKNKQAE-UZYVYHOESA-N
• XLogP: 5.24
• TPSA: 47.89 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	383.99
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]propyl]-2-oxopropanimidoyl chloride?

The IUPAC name of N-[3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]propyl]-2-oxopropanimidoyl chloride (CID 10762555) is N-[3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]propyl]-2-oxopropanimidoyl chloride.

What is the SMILES notation for N-[3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]propyl]-2-oxopropanimidoyl chloride?

The canonical SMILES for N-[3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]propyl]-2-oxopropanimidoyl chloride is COc1cc(O[Si](C)(C)C(C)(C)C)ccc1CCC/N=C(\Cl)C(C)=O.

What is the InChIKey of N-[3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]propyl]-2-oxopropanimidoyl chloride?

The InChIKey is HPRPTAZBKNKQAE-UZYVYHOESA-N. The full InChI is InChI=1S/C19H30ClNO3Si/c1-14(22)18(20)21-12-8-9-15-10-11-16(13-17(15)23-5)24-25(6,7)19(2,3)4/h10-11,13H,8-9,12H2,1-7H3/b21-18-.

What are the key properties of N-[3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]propyl]-2-oxopropanimidoyl chloride?

N-[3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]propyl]-2-oxopropanimidoyl chloride has a molecular weight of 383.99 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]propyl]-2-oxopropanimidoyl chloride is sourced from PubChem (CID 10762555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).