2-(ethylperoxymethyl)-3-methylideneoxirane

C6H10O3 — CID 140656295

IUPAC2-(ethylperoxymethyl)-3-methylideneoxirane
SMILESC=C1OC1COOCC
InChIInChI=1S/C6H10O3/c1-3-7-8-4-6-5(2)9-6/h6H,2-4H2,1H3
InChIKeySQFPRGSTSUKVMJ-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.87
Rot. Bonds4

About 2-(ethylperoxymethyl)-3-methylideneoxirane

2-(ethylperoxymethyl)-3-methylideneoxirane (PubChem CID 140656295) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2-(ethylperoxymethyl)-3-methylideneoxirane.

Molecular Properties

Compound Name2-(ethylperoxymethyl)-3-methylideneoxirane
PubChem CID140656295
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2-(ethylperoxymethyl)-3-methylideneoxirane
SMILESC=C1OC1COOCC
InChIInChI=1S/C6H10O3/c1-3-7-8-4-6-5(2)9-6/h6H,2-4H2,1H3
InChIKeySQFPRGSTSUKVMJ-UHFFFAOYSA-N
XLogP0.87
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylperoxymethyl)-3-methylideneoxirane?
The IUPAC name of 2-(ethylperoxymethyl)-3-methylideneoxirane (CID 140656295) is 2-(ethylperoxymethyl)-3-methylideneoxirane.
What is the SMILES notation for 2-(ethylperoxymethyl)-3-methylideneoxirane?
The canonical SMILES for 2-(ethylperoxymethyl)-3-methylideneoxirane is C=C1OC1COOCC.
What is the InChIKey of 2-(ethylperoxymethyl)-3-methylideneoxirane?
The InChIKey is SQFPRGSTSUKVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-3-7-8-4-6-5(2)9-6/h6H,2-4H2,1H3.
What are the key properties of 2-(ethylperoxymethyl)-3-methylideneoxirane?
2-(ethylperoxymethyl)-3-methylideneoxirane has a molecular weight of 130.14 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylperoxymethyl)-3-methylideneoxirane is sourced from PubChem (CID 140656295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).