[acetylperoxy(methylsilyloxy)methyl] ethaneperoxoate

C6H12O7Si — CID 150183375

IUPAC[acetylperoxy(methylsilyloxy)methyl] ethaneperoxoate
SMILESC[SiH2]OC(OOC(C)=O)OOC(C)=O
InChIInChI=1S/C6H12O7Si/c1-4(7)9-11-6(13-14-3)12-10-5(2)8/h6H,14H2,1-3H3
InChIKeyFLWZVDRXQYNIOH-UHFFFAOYSA-N
MW224.24 g/mol
LogP-0.59
Rot. Bonds6

About [acetylperoxy(methylsilyloxy)methyl] ethaneperoxoate

[acetylperoxy(methylsilyloxy)methyl] ethaneperoxoate (PubChem CID 150183375) has the molecular formula C6H12O7Si and a molecular weight of 224.24 g/mol. Its IUPAC name is [acetylperoxy(methylsilyloxy)methyl] ethaneperoxoate.

Molecular Properties

Compound Name[acetylperoxy(methylsilyloxy)methyl] ethaneperoxoate
PubChem CID150183375
Molecular FormulaC6H12O7Si
Molecular Weight224.24 g/mol
Exact Mass224.04
IUPAC Name[acetylperoxy(methylsilyloxy)methyl] ethaneperoxoate
SMILESC[SiH2]OC(OOC(C)=O)OOC(C)=O
InChIInChI=1S/C6H12O7Si/c1-4(7)9-11-6(13-14-3)12-10-5(2)8/h6H,14H2,1-3H3
InChIKeyFLWZVDRXQYNIOH-UHFFFAOYSA-N
XLogP-0.59
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze [acetylperoxy(methylsilyloxy)methyl] ethaneperoxoate 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 [acetylperoxy(methylsilyloxy)methyl] ethaneperoxoate?
The IUPAC name of [acetylperoxy(methylsilyloxy)methyl] ethaneperoxoate (CID 150183375) is [acetylperoxy(methylsilyloxy)methyl] ethaneperoxoate.
What is the SMILES notation for [acetylperoxy(methylsilyloxy)methyl] ethaneperoxoate?
The canonical SMILES for [acetylperoxy(methylsilyloxy)methyl] ethaneperoxoate is C[SiH2]OC(OOC(C)=O)OOC(C)=O.
What is the InChIKey of [acetylperoxy(methylsilyloxy)methyl] ethaneperoxoate?
The InChIKey is FLWZVDRXQYNIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O7Si/c1-4(7)9-11-6(13-14-3)12-10-5(2)8/h6H,14H2,1-3H3.
What are the key properties of [acetylperoxy(methylsilyloxy)methyl] ethaneperoxoate?
[acetylperoxy(methylsilyloxy)methyl] ethaneperoxoate has a molecular weight of 224.24 g/mol, XLogP of -0.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [acetylperoxy(methylsilyloxy)methyl] ethaneperoxoate is sourced from PubChem (CID 150183375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).