5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one

C₁₇H₃₄O₅Si — CID 159634228

About 5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one

5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one (PubChem CID 159634228) has the molecular formula C₁₇H₃₄O₅Si and a molecular weight of 346.54 g/mol. Its IUPAC name is 5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one.

Molecular Properties

• Compound Name: 5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one
• PubChem CID: 159634228
• Molecular Formula: C₁₇H₃₄O₅Si
• Molecular Weight: 346.54 g/mol
• Exact Mass: 346.22
• IUPAC Name: 5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one
• SMILES: C=C(C)C(=O)CC(C)(OC)O[Si](CCC)(OC(C)C)OC(C)C
• InChI: InChI=1S/C17H34O5Si/c1-10-11-23(20-14(4)5,21-15(6)7)22-17(8,19-9)12-16(18)13(2)3/h14-15H,2,10-12H2,1,3-9H3
• InChIKey: MPNLPPQHTQEZMN-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.54
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one?

The IUPAC name of 5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one (CID 159634228) is 5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one.

What is the SMILES notation for 5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one?

The canonical SMILES for 5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one is C=C(C)C(=O)CC(C)(OC)O[Si](CCC)(OC(C)C)OC(C)C.

What is the InChIKey of 5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one?

The InChIKey is MPNLPPQHTQEZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O5Si/c1-10-11-23(20-14(4)5,21-15(6)7)22-17(8,19-9)12-16(18)13(2)3/h14-15H,2,10-12H2,1,3-9H3.

What are the key properties of 5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one?

5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one has a molecular weight of 346.54 g/mol, XLogP of 4.10, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one is sourced from PubChem (CID 159634228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159634228 — identifiers, structure, computed properties (public domain)

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