2-(ethenoxymethyl)oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane

C11H18O5 — CID 19705600

IUPAC2-(ethenoxymethyl)oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.C=COCC1CO1
InChIInChI=1S/C6H10O3.C5H8O2/c1(5-3-8-5)7-2-6-4-9-6;1-2-6-3-5-4-7-5/h5-6H,1-4H2;2,5H,1,3-4H2
InChIKeyWTEIAKADQVFKIR-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.35
Rot. Bonds7

About 2-(ethenoxymethyl)oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane

2-(ethenoxymethyl)oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 19705600) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(ethenoxymethyl)oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name2-(ethenoxymethyl)oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID19705600
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name2-(ethenoxymethyl)oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.C=COCC1CO1
InChIInChI=1S/C6H10O3.C5H8O2/c1(5-3-8-5)7-2-6-4-9-6;1-2-6-3-5-4-7-5/h5-6H,1-4H2;2,5H,1,3-4H2
InChIKeyWTEIAKADQVFKIR-UHFFFAOYSA-N
XLogP0.35
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-(ethenoxymethyl)oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of 2-(ethenoxymethyl)oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 19705600) is 2-(ethenoxymethyl)oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for 2-(ethenoxymethyl)oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for 2-(ethenoxymethyl)oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.C=COCC1CO1.
What is the InChIKey of 2-(ethenoxymethyl)oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is WTEIAKADQVFKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C5H8O2/c1(5-3-8-5)7-2-6-4-9-6;1-2-6-3-5-4-7-5/h5-6H,1-4H2;2,5H,1,3-4H2.
What are the key properties of 2-(ethenoxymethyl)oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane?
2-(ethenoxymethyl)oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 230.26 g/mol, XLogP of 0.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 19705600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).