[acetyloxy-[2-(oxiran-2-ylmethoxy)ethyl]silyl] acetate

C9H16O6Si — CID 173168104

IUPAC[acetyloxy-[2-(oxiran-2-ylmethoxy)ethyl]silyl] acetate
SMILESCC(=O)O[SiH](CCOCC1CO1)OC(C)=O
InChIInChI=1S/C9H16O6Si/c1-7(10)14-16(15-8(2)11)4-3-12-5-9-6-13-9/h9,16H,3-6H2,1-2H3
InChIKeyZEIAUZLCWBYYOS-UHFFFAOYSA-N
MW248.31 g/mol
LogP-0.25
Rot. Bonds7

About [acetyloxy-[2-(oxiran-2-ylmethoxy)ethyl]silyl] acetate

[acetyloxy-[2-(oxiran-2-ylmethoxy)ethyl]silyl] acetate (PubChem CID 173168104) has the molecular formula C9H16O6Si and a molecular weight of 248.31 g/mol. Its IUPAC name is [acetyloxy-[2-(oxiran-2-ylmethoxy)ethyl]silyl] acetate.

Molecular Properties

Compound Name[acetyloxy-[2-(oxiran-2-ylmethoxy)ethyl]silyl] acetate
PubChem CID173168104
Molecular FormulaC9H16O6Si
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name[acetyloxy-[2-(oxiran-2-ylmethoxy)ethyl]silyl] acetate
SMILESCC(=O)O[SiH](CCOCC1CO1)OC(C)=O
InChIInChI=1S/C9H16O6Si/c1-7(10)14-16(15-8(2)11)4-3-12-5-9-6-13-9/h9,16H,3-6H2,1-2H3
InChIKeyZEIAUZLCWBYYOS-UHFFFAOYSA-N
XLogP-0.25
TPSA74.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [acetyloxy-[2-(oxiran-2-ylmethoxy)ethyl]silyl] acetate?
The IUPAC name of [acetyloxy-[2-(oxiran-2-ylmethoxy)ethyl]silyl] acetate (CID 173168104) is [acetyloxy-[2-(oxiran-2-ylmethoxy)ethyl]silyl] acetate.
What is the SMILES notation for [acetyloxy-[2-(oxiran-2-ylmethoxy)ethyl]silyl] acetate?
The canonical SMILES for [acetyloxy-[2-(oxiran-2-ylmethoxy)ethyl]silyl] acetate is CC(=O)O[SiH](CCOCC1CO1)OC(C)=O.
What is the InChIKey of [acetyloxy-[2-(oxiran-2-ylmethoxy)ethyl]silyl] acetate?
The InChIKey is ZEIAUZLCWBYYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O6Si/c1-7(10)14-16(15-8(2)11)4-3-12-5-9-6-13-9/h9,16H,3-6H2,1-2H3.
What are the key properties of [acetyloxy-[2-(oxiran-2-ylmethoxy)ethyl]silyl] acetate?
[acetyloxy-[2-(oxiran-2-ylmethoxy)ethyl]silyl] acetate has a molecular weight of 248.31 g/mol, XLogP of -0.25, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-[2-(oxiran-2-ylmethoxy)ethyl]silyl] acetate is sourced from PubChem (CID 173168104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).