2-chloroacetyl chloride;2-chloro-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]acetamide;methane;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine

C33H97Cl3N2O6Si6 — CID 159311794

About 2-chloroacetyl chloride;2-chloro-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]acetamide;methane;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine

2-chloroacetyl chloride;2-chloro-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]acetamide;methane;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine (PubChem CID 159311794) has the molecular formula C33H97Cl3N2O6Si6 and a molecular weight of 893.02 g/mol. Its IUPAC name is 2-chloroacetyl chloride;2-chloro-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]acetamide;methane;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine.

Molecular Properties

• Compound Name: 2-chloroacetyl chloride;2-chloro-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]acetamide;methane;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine
• PubChem CID: 159311794
• Molecular Formula: C33H97Cl3N2O6Si6
• Molecular Weight: 893.02 g/mol
• Exact Mass: 890.50
• IUPAC Name: 2-chloroacetyl chloride;2-chloro-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]acetamide;methane;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine
• SMILES: C.C.C.C.C.C.C.C.C.C[Si](C)(C)O[Si](C)(CCCN)O[Si](C)(C)C.C[Si](C)(C)O[Si](C)(CCCNC(=O)CCl)O[Si](C)(C)C.O=C(Cl)CCl
• InChI: InChI=1S/C12H30ClNO3Si3.C10H29NO2Si3.C2H2Cl2O.9CH4/c1-18(2,3)16-20(7,17-19(4,5)6)10-8-9-14-12(15)11-13;1-14(2,3)12-16(7,10-8-9-11)13-15(4,5)6;3-1-2(4)5;;;;;;;;;/h8-11H2,1-7H3,(H,14,15);8-11H2,1-7H3;1H2;9*1H4
• InChIKey: LCQIWHGWJUXEIU-UHFFFAOYSA-N
• XLogP: 13.33
• TPSA: 109.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.02
LogP ≤ 5	13.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloroacetyl chloride;2-chloro-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]acetamide;methane;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine?

The IUPAC name of 2-chloroacetyl chloride;2-chloro-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]acetamide;methane;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine (CID 159311794) is 2-chloroacetyl chloride;2-chloro-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]acetamide;methane;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine.

What is the SMILES notation for 2-chloroacetyl chloride;2-chloro-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]acetamide;methane;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine?

The canonical SMILES for 2-chloroacetyl chloride;2-chloro-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]acetamide;methane;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine is C.C.C.C.C.C.C.C.C.C[Si](C)(C)O[Si](C)(CCCN)O[Si](C)(C)C.C[Si](C)(C)O[Si](C)(CCCNC(=O)CCl)O[Si](C)(C)C.O=C(Cl)CCl.

What is the InChIKey of 2-chloroacetyl chloride;2-chloro-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]acetamide;methane;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine?

The InChIKey is LCQIWHGWJUXEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30ClNO3Si3.C10H29NO2Si3.C2H2Cl2O.9CH4/c1-18(2,3)16-20(7,17-19(4,5)6)10-8-9-14-12(15)11-13;1-14(2,3)12-16(7,10-8-9-11)13-15(4,5)6;3-1-2(4)5;;;;;;;;;/h8-11H2,1-7H3,(H,14,15);8-11H2,1-7H3;1H2;9*1H4.

What are the key properties of 2-chloroacetyl chloride;2-chloro-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]acetamide;methane;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine?

2-chloroacetyl chloride;2-chloro-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]acetamide;methane;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine has a molecular weight of 893.02 g/mol, XLogP of 13.33, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloroacetyl chloride;2-chloro-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]acetamide;methane;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine is sourced from PubChem (CID 159311794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).