(acetyloxy-ethyl-methoxysilyl) acetate

C7H14O5Si — CID 18952615

IUPAC(acetyloxy-ethyl-methoxysilyl) acetate
SMILESCC[Si](OC)(OC(C)=O)OC(C)=O
InChIInChI=1S/C7H14O5Si/c1-5-13(10-4,11-6(2)8)12-7(3)9/h5H2,1-4H3
InChIKeyJYYIZPKAAPLCAJ-UHFFFAOYSA-N
MW206.27 g/mol
LogP0.72
Rot. Bonds4

About (acetyloxy-ethyl-methoxysilyl) acetate

(acetyloxy-ethyl-methoxysilyl) acetate (PubChem CID 18952615) has the molecular formula C7H14O5Si and a molecular weight of 206.27 g/mol. Its IUPAC name is (acetyloxy-ethyl-methoxysilyl) acetate.

Molecular Properties

Compound Name(acetyloxy-ethyl-methoxysilyl) acetate
PubChem CID18952615
Molecular FormulaC7H14O5Si
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name(acetyloxy-ethyl-methoxysilyl) acetate
SMILESCC[Si](OC)(OC(C)=O)OC(C)=O
InChIInChI=1S/C7H14O5Si/c1-5-13(10-4,11-6(2)8)12-7(3)9/h5H2,1-4H3
InChIKeyJYYIZPKAAPLCAJ-UHFFFAOYSA-N
XLogP0.72
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (acetyloxy-ethyl-methoxysilyl) acetate?
The IUPAC name of (acetyloxy-ethyl-methoxysilyl) acetate (CID 18952615) is (acetyloxy-ethyl-methoxysilyl) acetate.
What is the SMILES notation for (acetyloxy-ethyl-methoxysilyl) acetate?
The canonical SMILES for (acetyloxy-ethyl-methoxysilyl) acetate is CC[Si](OC)(OC(C)=O)OC(C)=O.
What is the InChIKey of (acetyloxy-ethyl-methoxysilyl) acetate?
The InChIKey is JYYIZPKAAPLCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5Si/c1-5-13(10-4,11-6(2)8)12-7(3)9/h5H2,1-4H3.
What are the key properties of (acetyloxy-ethyl-methoxysilyl) acetate?
(acetyloxy-ethyl-methoxysilyl) acetate has a molecular weight of 206.27 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (acetyloxy-ethyl-methoxysilyl) acetate is sourced from PubChem (CID 18952615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).