[diacetyloxy(sulfanylmethyl)silyl] acetate

C7H12O6SSi — CID 23065821

IUPAC[diacetyloxy(sulfanylmethyl)silyl] acetate
SMILESCC(=O)O[Si](CS)(OC(C)=O)OC(C)=O
InChIInChI=1S/C7H12O6SSi/c1-5(8)11-15(4-14,12-6(2)9)13-7(3)10/h14H,4H2,1-3H3
InChIKeyIKOXTTPFXTZXEJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.08
Rot. Bonds4

About [diacetyloxy(sulfanylmethyl)silyl] acetate

[diacetyloxy(sulfanylmethyl)silyl] acetate (PubChem CID 23065821) has the molecular formula C7H12O6SSi and a molecular weight of 252.32 g/mol. Its IUPAC name is [diacetyloxy(sulfanylmethyl)silyl] acetate.

Molecular Properties

Compound Name[diacetyloxy(sulfanylmethyl)silyl] acetate
PubChem CID23065821
Molecular FormulaC7H12O6SSi
Molecular Weight252.32 g/mol
Exact Mass252.01
IUPAC Name[diacetyloxy(sulfanylmethyl)silyl] acetate
SMILESCC(=O)O[Si](CS)(OC(C)=O)OC(C)=O
InChIInChI=1S/C7H12O6SSi/c1-5(8)11-15(4-14,12-6(2)9)13-7(3)10/h14H,4H2,1-3H3
InChIKeyIKOXTTPFXTZXEJ-UHFFFAOYSA-N
XLogP0.08
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(acetyloxy-ethyl-methoxysilyl) acetate
CID 18952615
[diacetyloxy(propoxymethyl)silyl] acetate
CID 141216084
[diacetyloxy(ethyl)silyl] acetate;2-methylprop-2-enamide
CID 174431894
triacetyloxysilyl propanoate
CID 139651068
[diacetyloxy(hydroxy)silyl] acetate
CID 22770267
[diacetyloxy(2-methylprop-2-enoxymethyl)silyl] acetate
CID 23065830
(acetyloxy-methoxy-prop-2-enylsilyl) acetate
CID 87365472
[acetyloxy-(chloromethyl)-methylsilyl] acetate
CID 14272046
2-triacetyloxysilylethyl 2-methylprop-2-enoate
CID 22457265
[diacetyloxy(5-oxopent-3-enyl)silyl] acetate
CID 87497068
[diacetyloxy-[3-(2-aminoethylamino)propyl]silyl] acetate
CID 22457230
[acetyloxy-[8-[diacetyloxy(methyl)silyl]octyl]-methylsilyl] acetate
CID 154117413

Frequently Asked Questions

What is the IUPAC name of [diacetyloxy(sulfanylmethyl)silyl] acetate?
The IUPAC name of [diacetyloxy(sulfanylmethyl)silyl] acetate (CID 23065821) is [diacetyloxy(sulfanylmethyl)silyl] acetate.
What is the SMILES notation for [diacetyloxy(sulfanylmethyl)silyl] acetate?
The canonical SMILES for [diacetyloxy(sulfanylmethyl)silyl] acetate is CC(=O)O[Si](CS)(OC(C)=O)OC(C)=O.
What is the InChIKey of [diacetyloxy(sulfanylmethyl)silyl] acetate?
The InChIKey is IKOXTTPFXTZXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O6SSi/c1-5(8)11-15(4-14,12-6(2)9)13-7(3)10/h14H,4H2,1-3H3.
What are the key properties of [diacetyloxy(sulfanylmethyl)silyl] acetate?
[diacetyloxy(sulfanylmethyl)silyl] acetate has a molecular weight of 252.32 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy(sulfanylmethyl)silyl] acetate is sourced from PubChem (CID 23065821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).