[diacetyloxy(phenoxy)silyl] acetate

C12H14O7Si — CID 14250211

IUPAC[diacetyloxy(phenoxy)silyl] acetate
SMILESCC(=O)O[Si](OC(C)=O)(OC(C)=O)Oc1ccccc1
InChIInChI=1S/C12H14O7Si/c1-9(13)16-20(17-10(2)14,18-11(3)15)19-12-7-5-4-6-8-12/h4-8H,1-3H3
InChIKeyCORCYGOSVGBHPX-UHFFFAOYSA-N
MW298.32 g/mol
LogP1.19
Rot. Bonds5

About [diacetyloxy(phenoxy)silyl] acetate

[diacetyloxy(phenoxy)silyl] acetate (PubChem CID 14250211) has the molecular formula C12H14O7Si and a molecular weight of 298.32 g/mol. Its IUPAC name is [diacetyloxy(phenoxy)silyl] acetate.

Molecular Properties

Compound Name[diacetyloxy(phenoxy)silyl] acetate
PubChem CID14250211
Molecular FormulaC12H14O7Si
Molecular Weight298.32 g/mol
Exact Mass298.05
IUPAC Name[diacetyloxy(phenoxy)silyl] acetate
SMILESCC(=O)O[Si](OC(C)=O)(OC(C)=O)Oc1ccccc1
InChIInChI=1S/C12H14O7Si/c1-9(13)16-20(17-10(2)14,18-11(3)15)19-12-7-5-4-6-8-12/h4-8H,1-3H3
InChIKeyCORCYGOSVGBHPX-UHFFFAOYSA-N
XLogP1.19
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 [diacetyloxy(phenoxy)silyl] acetate?
The IUPAC name of [diacetyloxy(phenoxy)silyl] acetate (CID 14250211) is [diacetyloxy(phenoxy)silyl] acetate.
What is the SMILES notation for [diacetyloxy(phenoxy)silyl] acetate?
The canonical SMILES for [diacetyloxy(phenoxy)silyl] acetate is CC(=O)O[Si](OC(C)=O)(OC(C)=O)Oc1ccccc1.
What is the InChIKey of [diacetyloxy(phenoxy)silyl] acetate?
The InChIKey is CORCYGOSVGBHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O7Si/c1-9(13)16-20(17-10(2)14,18-11(3)15)19-12-7-5-4-6-8-12/h4-8H,1-3H3.
What are the key properties of [diacetyloxy(phenoxy)silyl] acetate?
[diacetyloxy(phenoxy)silyl] acetate has a molecular weight of 298.32 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy(phenoxy)silyl] acetate is sourced from PubChem (CID 14250211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).