[acetyloxy-methyl-[(2-methylpropan-2-yl)oxy]silyl] acetate

C9H18O5Si — CID 87569147

IUPAC[acetyloxy-methyl-[(2-methylpropan-2-yl)oxy]silyl] acetate
SMILESCC(=O)O[Si](C)(OC(C)=O)OC(C)(C)C
InChIInChI=1S/C9H18O5Si/c1-7(10)12-15(6,13-8(2)11)14-9(3,4)5/h1-6H3
InChIKeyACTLSAPETKLJDU-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.50
Rot. Bonds3

About [acetyloxy-methyl-[(2-methylpropan-2-yl)oxy]silyl] acetate

[acetyloxy-methyl-[(2-methylpropan-2-yl)oxy]silyl] acetate (PubChem CID 87569147) has the molecular formula C9H18O5Si and a molecular weight of 234.32 g/mol. Its IUPAC name is [acetyloxy-methyl-[(2-methylpropan-2-yl)oxy]silyl] acetate.

Molecular Properties

Compound Name[acetyloxy-methyl-[(2-methylpropan-2-yl)oxy]silyl] acetate
PubChem CID87569147
Molecular FormulaC9H18O5Si
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name[acetyloxy-methyl-[(2-methylpropan-2-yl)oxy]silyl] acetate
SMILESCC(=O)O[Si](C)(OC(C)=O)OC(C)(C)C
InChIInChI=1S/C9H18O5Si/c1-7(10)12-15(6,13-8(2)11)14-9(3,4)5/h1-6H3
InChIKeyACTLSAPETKLJDU-UHFFFAOYSA-N
XLogP1.50
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [acetyloxy-methyl-[(2-methylpropan-2-yl)oxy]silyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [acetyloxy-methyl-[(2-methylpropan-2-yl)oxy]silyl] acetate?
The IUPAC name of [acetyloxy-methyl-[(2-methylpropan-2-yl)oxy]silyl] acetate (CID 87569147) is [acetyloxy-methyl-[(2-methylpropan-2-yl)oxy]silyl] acetate.
What is the SMILES notation for [acetyloxy-methyl-[(2-methylpropan-2-yl)oxy]silyl] acetate?
The canonical SMILES for [acetyloxy-methyl-[(2-methylpropan-2-yl)oxy]silyl] acetate is CC(=O)O[Si](C)(OC(C)=O)OC(C)(C)C.
What is the InChIKey of [acetyloxy-methyl-[(2-methylpropan-2-yl)oxy]silyl] acetate?
The InChIKey is ACTLSAPETKLJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5Si/c1-7(10)12-15(6,13-8(2)11)14-9(3,4)5/h1-6H3.
What are the key properties of [acetyloxy-methyl-[(2-methylpropan-2-yl)oxy]silyl] acetate?
[acetyloxy-methyl-[(2-methylpropan-2-yl)oxy]silyl] acetate has a molecular weight of 234.32 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-methyl-[(2-methylpropan-2-yl)oxy]silyl] acetate is sourced from PubChem (CID 87569147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).