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

C7H10O5 — CID 20720716

IUPAC4-(ethylperoxymethyl)-5-methyl-1,3-dioxol-2-one
SMILESCCOOCc1oc(=O)oc1C
InChIInChI=1S/C7H10O5/c1-3-9-10-4-6-5(2)11-7(8)12-6/h3-4H2,1-2H3
InChIKeyMOUTWIZRVUUYSS-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.01
Rot. Bonds4

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

4-(ethylperoxymethyl)-5-methyl-1,3-dioxol-2-one (PubChem CID 20720716) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is 4-(ethylperoxymethyl)-5-methyl-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(ethylperoxymethyl)-5-methyl-1,3-dioxol-2-one
PubChem CID20720716
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name4-(ethylperoxymethyl)-5-methyl-1,3-dioxol-2-one
SMILESCCOOCc1oc(=O)oc1C
InChIInChI=1S/C7H10O5/c1-3-9-10-4-6-5(2)11-7(8)12-6/h3-4H2,1-2H3
InChIKeyMOUTWIZRVUUYSS-UHFFFAOYSA-N
XLogP1.01
TPSA61.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(Acetyloxy)methyl]-5-methyl-1,3-dioxol-2-one
CID 19611268
Olmesartan Medoxomil Impurity 164
CID 21138956
4-Methyl-5-(methylperoxymethyl)-1,3-dioxol-2-one
CID 21355716
4-(Methoxymethyl)-5-methyl-1,3-dioxol-2-one
CID 21362368
4-(Ethoxymethyl)-5-methyl-1,3-dioxol-2-one
CID 67987689
4-Methyl-5-(propoxymethyl)-1,3-dioxol-2-one
CID 89081136
Bis[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl] carbonate
CID 89922036
4-(Hydroperoxymethyl)-5-methyl-1,3-dioxol-2-one
CID 118882285
Methyl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl sulfite
CID 124098555
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl hypoiodite
CID 130325216
4-(Aminooxymethyl)-5-methyl-1,3-dioxol-2-one
CID 134524280
3H-dioxol-4-yl methyl carbonate
CID 140557809

Frequently Asked Questions

What is the IUPAC name of 4-(ethylperoxymethyl)-5-methyl-1,3-dioxol-2-one?
The IUPAC name of 4-(ethylperoxymethyl)-5-methyl-1,3-dioxol-2-one (CID 20720716) is 4-(ethylperoxymethyl)-5-methyl-1,3-dioxol-2-one.
What is the SMILES notation for 4-(ethylperoxymethyl)-5-methyl-1,3-dioxol-2-one?
The canonical SMILES for 4-(ethylperoxymethyl)-5-methyl-1,3-dioxol-2-one is CCOOCc1oc(=O)oc1C.
What is the InChIKey of 4-(ethylperoxymethyl)-5-methyl-1,3-dioxol-2-one?
The InChIKey is MOUTWIZRVUUYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5/c1-3-9-10-4-6-5(2)11-7(8)12-6/h3-4H2,1-2H3.
What are the key properties of 4-(ethylperoxymethyl)-5-methyl-1,3-dioxol-2-one?
4-(ethylperoxymethyl)-5-methyl-1,3-dioxol-2-one has a molecular weight of 174.15 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylperoxymethyl)-5-methyl-1,3-dioxol-2-one is sourced from PubChem (CID 20720716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).