1-[diethoxy(methyl)silyl]propan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane

C₁₄H₃₀O₆Si — CID 174766123

About 1-[diethoxy(methyl)silyl]propan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane

1-[diethoxy(methyl)silyl]propan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 174766123) has the molecular formula C₁₄H₃₀O₆Si and a molecular weight of 322.47 g/mol. Its IUPAC name is 1-[diethoxy(methyl)silyl]propan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

• Compound Name: 1-[diethoxy(methyl)silyl]propan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane
• PubChem CID: 174766123
• Molecular Formula: C₁₄H₃₀O₆Si
• Molecular Weight: 322.47 g/mol
• Exact Mass: 322.18
• IUPAC Name: 1-[diethoxy(methyl)silyl]propan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane
• SMILES: C(OCC1CO1)C1CO1.CCO[Si](C)(OCC)C(O)CC
• InChI: InChI=1S/C8H20O3Si.C6H10O3/c1-5-8(9)12(4,10-6-2)11-7-3;1(5-3-8-5)7-2-6-4-9-6/h8-9H,5-7H2,1-4H3;5-6H,1-4H2
• InChIKey: UHHLSJWRUGMVFN-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 72.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.47
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[diethoxy(methyl)silyl]propan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane?

The IUPAC name of 1-[diethoxy(methyl)silyl]propan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 174766123) is 1-[diethoxy(methyl)silyl]propan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane.

What is the SMILES notation for 1-[diethoxy(methyl)silyl]propan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane?

The canonical SMILES for 1-[diethoxy(methyl)silyl]propan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.CCO[Si](C)(OCC)C(O)CC.

What is the InChIKey of 1-[diethoxy(methyl)silyl]propan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane?

The InChIKey is UHHLSJWRUGMVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O3Si.C6H10O3/c1-5-8(9)12(4,10-6-2)11-7-3;1(5-3-8-5)7-2-6-4-9-6/h8-9H,5-7H2,1-4H3;5-6H,1-4H2.

What are the key properties of 1-[diethoxy(methyl)silyl]propan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane?

1-[diethoxy(methyl)silyl]propan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 322.47 g/mol, XLogP of 1.24, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[diethoxy(methyl)silyl]propan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 174766123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 174766123 — identifiers, structure, computed properties (public domain)

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