[acetyloxy-(chloromethyl)-methylsilyl] acetate

C6H11ClO4Si — CID 14272046

IUPAC[acetyloxy-(chloromethyl)-methylsilyl] acetate
SMILESCC(=O)O[Si](C)(CCl)OC(C)=O
InChIInChI=1S/C6H11ClO4Si/c1-5(8)10-12(3,4-7)11-6(2)9/h4H2,1-3H3
InChIKeyYQNZPPARTDGRQD-UHFFFAOYSA-N
MW210.69 g/mol
LogP0.96
Rot. Bonds3

About [acetyloxy-(chloromethyl)-methylsilyl] acetate

[acetyloxy-(chloromethyl)-methylsilyl] acetate (PubChem CID 14272046) has the molecular formula C6H11ClO4Si and a molecular weight of 210.69 g/mol. Its IUPAC name is [acetyloxy-(chloromethyl)-methylsilyl] acetate.

Molecular Properties

Compound Name[acetyloxy-(chloromethyl)-methylsilyl] acetate
PubChem CID14272046
Molecular FormulaC6H11ClO4Si
Molecular Weight210.69 g/mol
Exact Mass210.01
IUPAC Name[acetyloxy-(chloromethyl)-methylsilyl] acetate
SMILESCC(=O)O[Si](C)(CCl)OC(C)=O
InChIInChI=1S/C6H11ClO4Si/c1-5(8)10-12(3,4-7)11-6(2)9/h4H2,1-3H3
InChIKeyYQNZPPARTDGRQD-UHFFFAOYSA-N
XLogP0.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.69
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [acetyloxy-(chloromethyl)-methylsilyl] acetate?
The IUPAC name of [acetyloxy-(chloromethyl)-methylsilyl] acetate (CID 14272046) is [acetyloxy-(chloromethyl)-methylsilyl] acetate.
What is the SMILES notation for [acetyloxy-(chloromethyl)-methylsilyl] acetate?
The canonical SMILES for [acetyloxy-(chloromethyl)-methylsilyl] acetate is CC(=O)O[Si](C)(CCl)OC(C)=O.
What is the InChIKey of [acetyloxy-(chloromethyl)-methylsilyl] acetate?
The InChIKey is YQNZPPARTDGRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO4Si/c1-5(8)10-12(3,4-7)11-6(2)9/h4H2,1-3H3.
What are the key properties of [acetyloxy-(chloromethyl)-methylsilyl] acetate?
[acetyloxy-(chloromethyl)-methylsilyl] acetate has a molecular weight of 210.69 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-(chloromethyl)-methylsilyl] acetate is sourced from PubChem (CID 14272046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).