3-methyl-4-(methylperoxymethyl)-5-propan-2-yl-1,3-oxazolidin-2-one

C9H17NO4 — CID 20675838

IUPAC3-methyl-4-(methylperoxymethyl)-5-propan-2-yl-1,3-oxazolidin-2-one
SMILESCOOCC1C(C(C)C)OC(=O)N1C
InChIInChI=1S/C9H17NO4/c1-6(2)8-7(5-13-12-4)10(3)9(11)14-8/h6-8H,5H2,1-4H3
InChIKeyQHPMLKWRYFKGDX-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.04
Rot. Bonds4

About 3-methyl-4-(methylperoxymethyl)-5-propan-2-yl-1,3-oxazolidin-2-one

3-methyl-4-(methylperoxymethyl)-5-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 20675838) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-methyl-4-(methylperoxymethyl)-5-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-methyl-4-(methylperoxymethyl)-5-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID20675838
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name3-methyl-4-(methylperoxymethyl)-5-propan-2-yl-1,3-oxazolidin-2-one
SMILESCOOCC1C(C(C)C)OC(=O)N1C
InChIInChI=1S/C9H17NO4/c1-6(2)8-7(5-13-12-4)10(3)9(11)14-8/h6-8H,5H2,1-4H3
InChIKeyQHPMLKWRYFKGDX-UHFFFAOYSA-N
XLogP1.04
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-methyl-4-(methylperoxymethyl)-5-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-methyl-4-(methylperoxymethyl)-5-propan-2-yl-1,3-oxazolidin-2-one (CID 20675838) is 3-methyl-4-(methylperoxymethyl)-5-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-methyl-4-(methylperoxymethyl)-5-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-methyl-4-(methylperoxymethyl)-5-propan-2-yl-1,3-oxazolidin-2-one is COOCC1C(C(C)C)OC(=O)N1C.
What is the InChIKey of 3-methyl-4-(methylperoxymethyl)-5-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is QHPMLKWRYFKGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-6(2)8-7(5-13-12-4)10(3)9(11)14-8/h6-8H,5H2,1-4H3.
What are the key properties of 3-methyl-4-(methylperoxymethyl)-5-propan-2-yl-1,3-oxazolidin-2-one?
3-methyl-4-(methylperoxymethyl)-5-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(methylperoxymethyl)-5-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 20675838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).