[acetyloxy(2-methylprop-1-enyl)silyl] acetate

C8H14O4Si — CID 154117841

IUPAC[acetyloxy(2-methylprop-1-enyl)silyl] acetate
SMILESCC(=O)O[SiH](C=C(C)C)OC(C)=O
InChIInChI=1S/C8H14O4Si/c1-6(2)5-13(11-7(3)9)12-8(4)10/h5,13H,1-4H3
InChIKeyIOKRDARNVQFWLG-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.84
Rot. Bonds3

About [acetyloxy(2-methylprop-1-enyl)silyl] acetate

[acetyloxy(2-methylprop-1-enyl)silyl] acetate (PubChem CID 154117841) has the molecular formula C8H14O4Si and a molecular weight of 202.28 g/mol. Its IUPAC name is [acetyloxy(2-methylprop-1-enyl)silyl] acetate.

Molecular Properties

Compound Name[acetyloxy(2-methylprop-1-enyl)silyl] acetate
PubChem CID154117841
Molecular FormulaC8H14O4Si
Molecular Weight202.28 g/mol
Exact Mass202.07
IUPAC Name[acetyloxy(2-methylprop-1-enyl)silyl] acetate
SMILESCC(=O)O[SiH](C=C(C)C)OC(C)=O
InChIInChI=1S/C8H14O4Si/c1-6(2)5-13(11-7(3)9)12-8(4)10/h5,13H,1-4H3
InChIKeyIOKRDARNVQFWLG-UHFFFAOYSA-N
XLogP0.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [acetyloxy(2-methylprop-1-enyl)silyl] acetate?
The IUPAC name of [acetyloxy(2-methylprop-1-enyl)silyl] acetate (CID 154117841) is [acetyloxy(2-methylprop-1-enyl)silyl] acetate.
What is the SMILES notation for [acetyloxy(2-methylprop-1-enyl)silyl] acetate?
The canonical SMILES for [acetyloxy(2-methylprop-1-enyl)silyl] acetate is CC(=O)O[SiH](C=C(C)C)OC(C)=O.
What is the InChIKey of [acetyloxy(2-methylprop-1-enyl)silyl] acetate?
The InChIKey is IOKRDARNVQFWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4Si/c1-6(2)5-13(11-7(3)9)12-8(4)10/h5,13H,1-4H3.
What are the key properties of [acetyloxy(2-methylprop-1-enyl)silyl] acetate?
[acetyloxy(2-methylprop-1-enyl)silyl] acetate has a molecular weight of 202.28 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy(2-methylprop-1-enyl)silyl] acetate is sourced from PubChem (CID 154117841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).