3,5-dihydroperoxy-3-methyl-5-phenyldioxolane

C10H12O6 — CID 21406606

IUPAC3,5-dihydroperoxy-3-methyl-5-phenyldioxolane
SMILESCC1(OO)CC(OO)(c2ccccc2)OO1
InChIInChI=1S/C10H12O6/c1-9(13-11)7-10(14-12,16-15-9)8-5-3-2-4-6-8/h2-6,11-12H,7H2,1H3
InChIKeyYCGOATQHQYLMHV-UHFFFAOYSA-N
MW228.20 g/mol
LogP1.89
Rot. Bonds3

About 3,5-dihydroperoxy-3-methyl-5-phenyldioxolane

3,5-dihydroperoxy-3-methyl-5-phenyldioxolane (PubChem CID 21406606) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is 3,5-dihydroperoxy-3-methyl-5-phenyldioxolane.

Molecular Properties

Compound Name3,5-dihydroperoxy-3-methyl-5-phenyldioxolane
PubChem CID21406606
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Name3,5-dihydroperoxy-3-methyl-5-phenyldioxolane
SMILESCC1(OO)CC(OO)(c2ccccc2)OO1
InChIInChI=1S/C10H12O6/c1-9(13-11)7-10(14-12,16-15-9)8-5-3-2-4-6-8/h2-6,11-12H,7H2,1H3
InChIKeyYCGOATQHQYLMHV-UHFFFAOYSA-N
XLogP1.89
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3,5-dihydroperoxy-3-methyl-5-phenyldioxolane 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 3,5-dihydroperoxy-3-methyl-5-phenyldioxolane?
The IUPAC name of 3,5-dihydroperoxy-3-methyl-5-phenyldioxolane (CID 21406606) is 3,5-dihydroperoxy-3-methyl-5-phenyldioxolane.
What is the SMILES notation for 3,5-dihydroperoxy-3-methyl-5-phenyldioxolane?
The canonical SMILES for 3,5-dihydroperoxy-3-methyl-5-phenyldioxolane is CC1(OO)CC(OO)(c2ccccc2)OO1.
What is the InChIKey of 3,5-dihydroperoxy-3-methyl-5-phenyldioxolane?
The InChIKey is YCGOATQHQYLMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O6/c1-9(13-11)7-10(14-12,16-15-9)8-5-3-2-4-6-8/h2-6,11-12H,7H2,1H3.
What are the key properties of 3,5-dihydroperoxy-3-methyl-5-phenyldioxolane?
3,5-dihydroperoxy-3-methyl-5-phenyldioxolane has a molecular weight of 228.20 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroperoxy-3-methyl-5-phenyldioxolane is sourced from PubChem (CID 21406606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).