ethene;2-(methylperoxymethyl)oxirane

C6H12O3 — CID 87169502

IUPACethene;2-(methylperoxymethyl)oxirane
SMILESC=C.COOCC1CO1
InChIInChI=1S/C4H8O3.C2H4/c1-5-7-3-4-2-6-4;1-2/h4H,2-3H2,1H3;1-2H2
InChIKeyHALPUXHGQFAXLB-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.77
Rot. Bonds3

About ethene;2-(methylperoxymethyl)oxirane

ethene;2-(methylperoxymethyl)oxirane (PubChem CID 87169502) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is ethene;2-(methylperoxymethyl)oxirane.

Molecular Properties

Compound Nameethene;2-(methylperoxymethyl)oxirane
PubChem CID87169502
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Nameethene;2-(methylperoxymethyl)oxirane
SMILESC=C.COOCC1CO1
InChIInChI=1S/C4H8O3.C2H4/c1-5-7-3-4-2-6-4;1-2/h4H,2-3H2,1H3;1-2H2
InChIKeyHALPUXHGQFAXLB-UHFFFAOYSA-N
XLogP0.77
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;2-(methylperoxymethyl)oxirane?
The IUPAC name of ethene;2-(methylperoxymethyl)oxirane (CID 87169502) is ethene;2-(methylperoxymethyl)oxirane.
What is the SMILES notation for ethene;2-(methylperoxymethyl)oxirane?
The canonical SMILES for ethene;2-(methylperoxymethyl)oxirane is C=C.COOCC1CO1.
What is the InChIKey of ethene;2-(methylperoxymethyl)oxirane?
The InChIKey is HALPUXHGQFAXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.C2H4/c1-5-7-3-4-2-6-4;1-2/h4H,2-3H2,1H3;1-2H2.
What are the key properties of ethene;2-(methylperoxymethyl)oxirane?
ethene;2-(methylperoxymethyl)oxirane has a molecular weight of 132.16 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-(methylperoxymethyl)oxirane is sourced from PubChem (CID 87169502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).