[acetyloxy-(2-ethanethioyloxyethyl)-methylsilyl] acetate

C9H16O5SSi — CID 57169176

IUPAC[acetyloxy-(2-ethanethioyloxyethyl)-methylsilyl] acetate
SMILESCC(=O)O[Si](C)(CCOC(C)=S)OC(C)=O
InChIInChI=1S/C9H16O5SSi/c1-7(10)13-16(4,14-8(2)11)6-5-12-9(3)15/h5-6H2,1-4H3
InChIKeyZYKIATRXPHRDHO-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.55
Rot. Bonds5

About [acetyloxy-(2-ethanethioyloxyethyl)-methylsilyl] acetate

[acetyloxy-(2-ethanethioyloxyethyl)-methylsilyl] acetate (PubChem CID 57169176) has the molecular formula C9H16O5SSi and a molecular weight of 264.37 g/mol. Its IUPAC name is [acetyloxy-(2-ethanethioyloxyethyl)-methylsilyl] acetate.

Molecular Properties

Compound Name[acetyloxy-(2-ethanethioyloxyethyl)-methylsilyl] acetate
PubChem CID57169176
Molecular FormulaC9H16O5SSi
Molecular Weight264.37 g/mol
Exact Mass264.05
IUPAC Name[acetyloxy-(2-ethanethioyloxyethyl)-methylsilyl] acetate
SMILESCC(=O)O[Si](C)(CCOC(C)=S)OC(C)=O
InChIInChI=1S/C9H16O5SSi/c1-7(10)13-16(4,14-8(2)11)6-5-12-9(3)15/h5-6H2,1-4H3
InChIKeyZYKIATRXPHRDHO-UHFFFAOYSA-N
XLogP1.55
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

O-[2-[diethoxy(methyl)silyl]ethyl] ethanethioate
CID 57259196
2-[diacetyloxy(methyl)silyl]ethyl prop-2-enoate
CID 154136555
[acetyloxy-[8-[diacetyloxy(methyl)silyl]octyl]-methylsilyl] acetate
CID 154117413
[acetyloxy-(aminomethyl)-methylsilyl] acetate
CID 23065806
O-[2-[methoxy(dimethyl)silyl]ethyl] ethanethioate
CID 86585691
[acetyloxy-(chloromethyl)-methylsilyl] acetate
CID 14272046
O-(3-ethanethioyloxypropyl) ethanethioate
CID 15121040
[acetyloxy-[3-(2-aminoethylamino)propyl]-methylsilyl] acetate
CID 87568873
3-[acetyloxy(dimethyl)silyl]propyl acetate
CID 18787770
2-triacetyloxysilylethyl 2-methylprop-2-enoate
CID 22457265
[acetyloxy-methyl-(2-phenylethyl)silyl] acetate
CID 54139822
[acetyloxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] acetate
CID 22292670

Frequently Asked Questions

What is the IUPAC name of [acetyloxy-(2-ethanethioyloxyethyl)-methylsilyl] acetate?
The IUPAC name of [acetyloxy-(2-ethanethioyloxyethyl)-methylsilyl] acetate (CID 57169176) is [acetyloxy-(2-ethanethioyloxyethyl)-methylsilyl] acetate.
What is the SMILES notation for [acetyloxy-(2-ethanethioyloxyethyl)-methylsilyl] acetate?
The canonical SMILES for [acetyloxy-(2-ethanethioyloxyethyl)-methylsilyl] acetate is CC(=O)O[Si](C)(CCOC(C)=S)OC(C)=O.
What is the InChIKey of [acetyloxy-(2-ethanethioyloxyethyl)-methylsilyl] acetate?
The InChIKey is ZYKIATRXPHRDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5SSi/c1-7(10)13-16(4,14-8(2)11)6-5-12-9(3)15/h5-6H2,1-4H3.
What are the key properties of [acetyloxy-(2-ethanethioyloxyethyl)-methylsilyl] acetate?
[acetyloxy-(2-ethanethioyloxyethyl)-methylsilyl] acetate has a molecular weight of 264.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-(2-ethanethioyloxyethyl)-methylsilyl] acetate is sourced from PubChem (CID 57169176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).