1-(oxiran-2-yl)ethanol

C4H8O2 — CID 11593431

IUPAC1-(oxiran-2-yl)ethanol
SMILESCC(O)C1CO1
InChIInChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3
InChIKeyLEJLUUHSOFWJSW-UHFFFAOYSA-N
MW88.11 g/mol
LogP-0.23
Rot. Bonds1

About 1-(oxiran-2-yl)ethanol

1-(oxiran-2-yl)ethanol (PubChem CID 11593431) has the molecular formula C4H8O2 and a molecular weight of 88.11 g/mol. Its IUPAC name is 1-(oxiran-2-yl)ethanol.

Molecular Properties

Compound Name1-(oxiran-2-yl)ethanol
PubChem CID11593431
Molecular FormulaC4H8O2
Molecular Weight88.11 g/mol
Exact Mass88.05
IUPAC Name1-(oxiran-2-yl)ethanol
SMILESCC(O)C1CO1
InChIInChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3
InChIKeyLEJLUUHSOFWJSW-UHFFFAOYSA-N
XLogP-0.23
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(oxiran-2-yl)ethanol?
The IUPAC name of 1-(oxiran-2-yl)ethanol (CID 11593431) is 1-(oxiran-2-yl)ethanol.
What is the SMILES notation for 1-(oxiran-2-yl)ethanol?
The canonical SMILES for 1-(oxiran-2-yl)ethanol is CC(O)C1CO1.
What is the InChIKey of 1-(oxiran-2-yl)ethanol?
The InChIKey is LEJLUUHSOFWJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3.
What are the key properties of 1-(oxiran-2-yl)ethanol?
1-(oxiran-2-yl)ethanol has a molecular weight of 88.11 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-yl)ethanol is sourced from PubChem (CID 11593431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).