dihydroxy-(oxan-2-yl)-phenylsilane

C11H16O3Si — CID 175286326

IUPACdihydroxy-(oxan-2-yl)-phenylsilane
SMILESO[Si](O)(c1ccccc1)C1CCCCO1
InChIInChI=1S/C11H16O3Si/c12-15(13,10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-13H,4-5,8-9H2
InChIKeyQKOCNQJWJWPUHL-UHFFFAOYSA-N
MW224.33 g/mol
LogP0.43
Rot. Bonds2

About dihydroxy-(oxan-2-yl)-phenylsilane

dihydroxy-(oxan-2-yl)-phenylsilane (PubChem CID 175286326) has the molecular formula C11H16O3Si and a molecular weight of 224.33 g/mol. Its IUPAC name is dihydroxy-(oxan-2-yl)-phenylsilane.

Molecular Properties

Compound Namedihydroxy-(oxan-2-yl)-phenylsilane
PubChem CID175286326
Molecular FormulaC11H16O3Si
Molecular Weight224.33 g/mol
Exact Mass224.09
IUPAC Namedihydroxy-(oxan-2-yl)-phenylsilane
SMILESO[Si](O)(c1ccccc1)C1CCCCO1
InChIInChI=1S/C11H16O3Si/c12-15(13,10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-13H,4-5,8-9H2
InChIKeyQKOCNQJWJWPUHL-UHFFFAOYSA-N
XLogP0.43
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxy-(oxan-2-yl)-phenylsilane?
The IUPAC name of dihydroxy-(oxan-2-yl)-phenylsilane (CID 175286326) is dihydroxy-(oxan-2-yl)-phenylsilane.
What is the SMILES notation for dihydroxy-(oxan-2-yl)-phenylsilane?
The canonical SMILES for dihydroxy-(oxan-2-yl)-phenylsilane is O[Si](O)(c1ccccc1)C1CCCCO1.
What is the InChIKey of dihydroxy-(oxan-2-yl)-phenylsilane?
The InChIKey is QKOCNQJWJWPUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3Si/c12-15(13,10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-13H,4-5,8-9H2.
What are the key properties of dihydroxy-(oxan-2-yl)-phenylsilane?
dihydroxy-(oxan-2-yl)-phenylsilane has a molecular weight of 224.33 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-(oxan-2-yl)-phenylsilane is sourced from PubChem (CID 175286326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).