(hydroxymethyl-methyl-phenylsilyl)methyl acetate

C11H16O3Si — CID 102492893

IUPAC(hydroxymethyl-methyl-phenylsilyl)methyl acetate
SMILESCC(=O)OC[Si](C)(CO)c1ccccc1
InChIInChI=1S/C11H16O3Si/c1-10(13)14-9-15(2,8-12)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3
InChIKeyOVVFMBLKWXADBC-UHFFFAOYSA-N
MW224.33 g/mol
LogP0.61
Rot. Bonds4

About (hydroxymethyl-methyl-phenylsilyl)methyl acetate

(hydroxymethyl-methyl-phenylsilyl)methyl acetate (PubChem CID 102492893) has the molecular formula C11H16O3Si and a molecular weight of 224.33 g/mol. Its IUPAC name is (hydroxymethyl-methyl-phenylsilyl)methyl acetate.

Molecular Properties

Compound Name(hydroxymethyl-methyl-phenylsilyl)methyl acetate
PubChem CID102492893
Molecular FormulaC11H16O3Si
Molecular Weight224.33 g/mol
Exact Mass224.09
IUPAC Name(hydroxymethyl-methyl-phenylsilyl)methyl acetate
SMILESCC(=O)OC[Si](C)(CO)c1ccccc1
InChIInChI=1S/C11H16O3Si/c1-10(13)14-9-15(2,8-12)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3
InChIKeyOVVFMBLKWXADBC-UHFFFAOYSA-N
XLogP0.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 50.61
H-Bond Donors ≤ 51
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 (hydroxymethyl-methyl-phenylsilyl)methyl acetate?
The IUPAC name of (hydroxymethyl-methyl-phenylsilyl)methyl acetate (CID 102492893) is (hydroxymethyl-methyl-phenylsilyl)methyl acetate.
What is the SMILES notation for (hydroxymethyl-methyl-phenylsilyl)methyl acetate?
The canonical SMILES for (hydroxymethyl-methyl-phenylsilyl)methyl acetate is CC(=O)OC[Si](C)(CO)c1ccccc1.
What is the InChIKey of (hydroxymethyl-methyl-phenylsilyl)methyl acetate?
The InChIKey is OVVFMBLKWXADBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3Si/c1-10(13)14-9-15(2,8-12)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3.
What are the key properties of (hydroxymethyl-methyl-phenylsilyl)methyl acetate?
(hydroxymethyl-methyl-phenylsilyl)methyl acetate has a molecular weight of 224.33 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (hydroxymethyl-methyl-phenylsilyl)methyl acetate is sourced from PubChem (CID 102492893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).