[acetyloxy(prop-2-enyl)silyl] acetate

C7H12O4Si — CID 123976563

IUPAC[acetyloxy(prop-2-enyl)silyl] acetate
SMILESC=CC[SiH](OC(C)=O)OC(C)=O
InChIInChI=1S/C7H12O4Si/c1-4-5-12(10-6(2)8)11-7(3)9/h4,12H,1,5H2,2-3H3
InChIKeyJMHWNJGXUIJPKG-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.52
Rot. Bonds4

About [acetyloxy(prop-2-enyl)silyl] acetate

[acetyloxy(prop-2-enyl)silyl] acetate (PubChem CID 123976563) has the molecular formula C7H12O4Si and a molecular weight of 188.25 g/mol. Its IUPAC name is [acetyloxy(prop-2-enyl)silyl] acetate.

Molecular Properties

Compound Name[acetyloxy(prop-2-enyl)silyl] acetate
PubChem CID123976563
Molecular FormulaC7H12O4Si
Molecular Weight188.25 g/mol
Exact Mass188.05
IUPAC Name[acetyloxy(prop-2-enyl)silyl] acetate
SMILESC=CC[SiH](OC(C)=O)OC(C)=O
InChIInChI=1S/C7H12O4Si/c1-4-5-12(10-6(2)8)11-7(3)9/h4,12H,1,5H2,2-3H3
InChIKeyJMHWNJGXUIJPKG-UHFFFAOYSA-N
XLogP0.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [acetyloxy(prop-2-enyl)silyl] acetate?
The IUPAC name of [acetyloxy(prop-2-enyl)silyl] acetate (CID 123976563) is [acetyloxy(prop-2-enyl)silyl] acetate.
What is the SMILES notation for [acetyloxy(prop-2-enyl)silyl] acetate?
The canonical SMILES for [acetyloxy(prop-2-enyl)silyl] acetate is C=CC[SiH](OC(C)=O)OC(C)=O.
What is the InChIKey of [acetyloxy(prop-2-enyl)silyl] acetate?
The InChIKey is JMHWNJGXUIJPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4Si/c1-4-5-12(10-6(2)8)11-7(3)9/h4,12H,1,5H2,2-3H3.
What are the key properties of [acetyloxy(prop-2-enyl)silyl] acetate?
[acetyloxy(prop-2-enyl)silyl] acetate has a molecular weight of 188.25 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy(prop-2-enyl)silyl] acetate is sourced from PubChem (CID 123976563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).