2-methyl-6-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]hex-1-en-3-one

C26H56O8Si3 — CID 148743560

About 2-methyl-6-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]hex-1-en-3-one

2-methyl-6-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]hex-1-en-3-one (PubChem CID 148743560) has the molecular formula C26H56O8Si3 and a molecular weight of 580.98 g/mol. Its IUPAC name is 2-methyl-6-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]hex-1-en-3-one.

Molecular Properties

• Compound Name: 2-methyl-6-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]hex-1-en-3-one
• PubChem CID: 148743560
• Molecular Formula: C26H56O8Si3
• Molecular Weight: 580.98 g/mol
• Exact Mass: 580.33
• IUPAC Name: 2-methyl-6-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]hex-1-en-3-one
• SMILES: C=C(C)C(=O)CCCOCCOCCOCCOCCOCC(C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C26H56O8Si3/c1-24(2)26(27)12-11-13-28-14-15-29-16-17-30-18-19-31-20-21-32-22-25(3)23-37(10,33-35(4,5)6)34-36(7,8)9/h25H,1,11-23H2,2-10H3
• InChIKey: ODHWTKSRLXUCLL-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 81.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 25
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.98
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
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 2-methyl-6-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]hex-1-en-3-one?

The IUPAC name of 2-methyl-6-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]hex-1-en-3-one (CID 148743560) is 2-methyl-6-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]hex-1-en-3-one.

What is the SMILES notation for 2-methyl-6-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]hex-1-en-3-one?

The canonical SMILES for 2-methyl-6-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]hex-1-en-3-one is C=C(C)C(=O)CCCOCCOCCOCCOCCOCC(C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.

What is the InChIKey of 2-methyl-6-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]hex-1-en-3-one?

The InChIKey is ODHWTKSRLXUCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56O8Si3/c1-24(2)26(27)12-11-13-28-14-15-29-16-17-30-18-19-31-20-21-32-22-25(3)23-37(10,33-35(4,5)6)34-36(7,8)9/h25H,1,11-23H2,2-10H3.

What are the key properties of 2-methyl-6-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]hex-1-en-3-one?

2-methyl-6-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]hex-1-en-3-one has a molecular weight of 580.98 g/mol, XLogP of 5.41, 25 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-6-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]hex-1-en-3-one is sourced from PubChem (CID 148743560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).