2-[2-(oxiran-2-yl)ethoxymethyl]oxirane

C7H12O3 — CID 22899409

IUPAC2-[2-(oxiran-2-yl)ethoxymethyl]oxirane
SMILESC(CC1CO1)OCC1CO1
InChIInChI=1S/C7H12O3/c1(6-4-9-6)2-8-3-7-5-10-7/h6-7H,1-5H2
InChIKeyWNJOUNDUDZFEJX-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.19
Rot. Bonds5

About 2-[2-(oxiran-2-yl)ethoxymethyl]oxirane

2-[2-(oxiran-2-yl)ethoxymethyl]oxirane (PubChem CID 22899409) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-[2-(oxiran-2-yl)ethoxymethyl]oxirane.

Molecular Properties

Compound Name2-[2-(oxiran-2-yl)ethoxymethyl]oxirane
PubChem CID22899409
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-[2-(oxiran-2-yl)ethoxymethyl]oxirane
SMILESC(CC1CO1)OCC1CO1
InChIInChI=1S/C7H12O3/c1(6-4-9-6)2-8-3-7-5-10-7/h6-7H,1-5H2
InChIKeyWNJOUNDUDZFEJX-UHFFFAOYSA-N
XLogP0.19
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[2-(oxiran-2-yl)ethoxymethyl]oxirane?
The IUPAC name of 2-[2-(oxiran-2-yl)ethoxymethyl]oxirane (CID 22899409) is 2-[2-(oxiran-2-yl)ethoxymethyl]oxirane.
What is the SMILES notation for 2-[2-(oxiran-2-yl)ethoxymethyl]oxirane?
The canonical SMILES for 2-[2-(oxiran-2-yl)ethoxymethyl]oxirane is C(CC1CO1)OCC1CO1.
What is the InChIKey of 2-[2-(oxiran-2-yl)ethoxymethyl]oxirane?
The InChIKey is WNJOUNDUDZFEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1(6-4-9-6)2-8-3-7-5-10-7/h6-7H,1-5H2.
What are the key properties of 2-[2-(oxiran-2-yl)ethoxymethyl]oxirane?
2-[2-(oxiran-2-yl)ethoxymethyl]oxirane has a molecular weight of 144.17 g/mol, XLogP of 0.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxiran-2-yl)ethoxymethyl]oxirane is sourced from PubChem (CID 22899409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).