6-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]-2-methylhex-1-en-3-one

C24H46O6Si4 — CID 59689314

About 6-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]-2-methylhex-1-en-3-one

6-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]-2-methylhex-1-en-3-one (PubChem CID 59689314) has the molecular formula C24H46O6Si4 and a molecular weight of 542.97 g/mol. Its IUPAC name is 6-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]-2-methylhex-1-en-3-one.

Molecular Properties

• Compound Name: 6-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]-2-methylhex-1-en-3-one
• PubChem CID: 59689314
• Molecular Formula: C24H46O6Si4
• Molecular Weight: 542.97 g/mol
• Exact Mass: 542.24
• IUPAC Name: 6-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]-2-methylhex-1-en-3-one
• SMILES: C=C(C)C(=O)CCC[Si](C)(O[Si](C)(C)CC(=O)C(=C)C)O[Si](C)(C)O[Si](C)(C)CC(=O)C(=C)C
• InChI: InChI=1S/C24H46O6Si4/c1-19(2)22(25)15-14-16-34(13,29-32(9,10)18-24(27)21(5)6)30-33(11,12)28-31(7,8)17-23(26)20(3)4/h1,3,5,14-18H2,2,4,6-13H3
• InChIKey: VNFNIWCEXRVUIQ-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 78.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.97
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]-2-methylhex-1-en-3-one?

The IUPAC name of 6-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]-2-methylhex-1-en-3-one (CID 59689314) is 6-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]-2-methylhex-1-en-3-one.

What is the SMILES notation for 6-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]-2-methylhex-1-en-3-one?

The canonical SMILES for 6-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]-2-methylhex-1-en-3-one is C=C(C)C(=O)CCC[Si](C)(O[Si](C)(C)CC(=O)C(=C)C)O[Si](C)(C)O[Si](C)(C)CC(=O)C(=C)C.

What is the InChIKey of 6-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]-2-methylhex-1-en-3-one?

The InChIKey is VNFNIWCEXRVUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O6Si4/c1-19(2)22(25)15-14-16-34(13,29-32(9,10)18-24(27)21(5)6)30-33(11,12)28-31(7,8)17-23(26)20(3)4/h1,3,5,14-18H2,2,4,6-13H3.

What are the key properties of 6-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]-2-methylhex-1-en-3-one?

6-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]-2-methylhex-1-en-3-one has a molecular weight of 542.97 g/mol, XLogP of 6.44, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]-2-methylhex-1-en-3-one is sourced from PubChem (CID 59689314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).