4-methyl-5-(methylperoxymethyl)-1,3-dioxol-2-one

C6H8O5 — CID 21355716

IUPAC4-methyl-5-(methylperoxymethyl)-1,3-dioxol-2-one
SMILESCOOCc1oc(=O)oc1C
InChIInChI=1S/C6H8O5/c1-4-5(3-9-8-2)11-6(7)10-4/h3H2,1-2H3
InChIKeyHPYTVNPMLSKGRE-UHFFFAOYSA-N
MW160.12 g/mol
LogP0.62
Rot. Bonds3

About 4-methyl-5-(methylperoxymethyl)-1,3-dioxol-2-one

4-methyl-5-(methylperoxymethyl)-1,3-dioxol-2-one (PubChem CID 21355716) has the molecular formula C6H8O5 and a molecular weight of 160.12 g/mol. Its IUPAC name is 4-methyl-5-(methylperoxymethyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-methyl-5-(methylperoxymethyl)-1,3-dioxol-2-one
PubChem CID21355716
Molecular FormulaC6H8O5
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name4-methyl-5-(methylperoxymethyl)-1,3-dioxol-2-one
SMILESCOOCc1oc(=O)oc1C
InChIInChI=1S/C6H8O5/c1-4-5(3-9-8-2)11-6(7)10-4/h3H2,1-2H3
InChIKeyHPYTVNPMLSKGRE-UHFFFAOYSA-N
XLogP0.62
TPSA61.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(methylperoxymethyl)-1,3-dioxol-2-one?
The IUPAC name of 4-methyl-5-(methylperoxymethyl)-1,3-dioxol-2-one (CID 21355716) is 4-methyl-5-(methylperoxymethyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-methyl-5-(methylperoxymethyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-methyl-5-(methylperoxymethyl)-1,3-dioxol-2-one is COOCc1oc(=O)oc1C.
What is the InChIKey of 4-methyl-5-(methylperoxymethyl)-1,3-dioxol-2-one?
The InChIKey is HPYTVNPMLSKGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O5/c1-4-5(3-9-8-2)11-6(7)10-4/h3H2,1-2H3.
What are the key properties of 4-methyl-5-(methylperoxymethyl)-1,3-dioxol-2-one?
4-methyl-5-(methylperoxymethyl)-1,3-dioxol-2-one has a molecular weight of 160.12 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(methylperoxymethyl)-1,3-dioxol-2-one is sourced from PubChem (CID 21355716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).