2-[1-[1-(oxiran-2-yl)ethoxy]ethyl]oxirane

C8H14O3 — CID 19369118

IUPAC2-[1-[1-(oxiran-2-yl)ethoxy]ethyl]oxirane
SMILESCC(OC(C)C1CO1)C1CO1
InChIInChI=1S/C8H14O3/c1-5(7-3-9-7)11-6(2)8-4-10-8/h5-8H,3-4H2,1-2H3
InChIKeyXVFCNOLPVJMNLA-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.58
Rot. Bonds4

About 2-[1-[1-(oxiran-2-yl)ethoxy]ethyl]oxirane

2-[1-[1-(oxiran-2-yl)ethoxy]ethyl]oxirane (PubChem CID 19369118) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-[1-[1-(oxiran-2-yl)ethoxy]ethyl]oxirane.

Molecular Properties

Compound Name2-[1-[1-(oxiran-2-yl)ethoxy]ethyl]oxirane
PubChem CID19369118
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-[1-[1-(oxiran-2-yl)ethoxy]ethyl]oxirane
SMILESCC(OC(C)C1CO1)C1CO1
InChIInChI=1S/C8H14O3/c1-5(7-3-9-7)11-6(2)8-4-10-8/h5-8H,3-4H2,1-2H3
InChIKeyXVFCNOLPVJMNLA-UHFFFAOYSA-N
XLogP0.58
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(oxiran-2-yl)ethoxy]ethyl]oxirane?
The IUPAC name of 2-[1-[1-(oxiran-2-yl)ethoxy]ethyl]oxirane (CID 19369118) is 2-[1-[1-(oxiran-2-yl)ethoxy]ethyl]oxirane.
What is the SMILES notation for 2-[1-[1-(oxiran-2-yl)ethoxy]ethyl]oxirane?
The canonical SMILES for 2-[1-[1-(oxiran-2-yl)ethoxy]ethyl]oxirane is CC(OC(C)C1CO1)C1CO1.
What is the InChIKey of 2-[1-[1-(oxiran-2-yl)ethoxy]ethyl]oxirane?
The InChIKey is XVFCNOLPVJMNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-5(7-3-9-7)11-6(2)8-4-10-8/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-[1-[1-(oxiran-2-yl)ethoxy]ethyl]oxirane?
2-[1-[1-(oxiran-2-yl)ethoxy]ethyl]oxirane has a molecular weight of 158.20 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(oxiran-2-yl)ethoxy]ethyl]oxirane is sourced from PubChem (CID 19369118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).