(3S)-3-[(2R)-oxiran-2-yl]oxolane

C6H10O2 — CID 94590793

IUPAC(3S)-3-[(2R)-oxiran-2-yl]oxolane
SMILESC1C[C@H]([C@@H]2CO2)CO1
InChIInChI=1S/C6H10O2/c1-2-7-3-5(1)6-4-8-6/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeyHEMSSMIBAFJYAM-WDSKDSINSA-N
MW114.14 g/mol
LogP0.42
Rot. Bonds1

About (3S)-3-[(2R)-oxiran-2-yl]oxolane

(3S)-3-[(2R)-oxiran-2-yl]oxolane (PubChem CID 94590793) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (3S)-3-[(2R)-oxiran-2-yl]oxolane.

Molecular Properties

Compound Name(3S)-3-[(2R)-oxiran-2-yl]oxolane
PubChem CID94590793
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(3S)-3-[(2R)-oxiran-2-yl]oxolane
SMILESC1C[C@H]([C@@H]2CO2)CO1
InChIInChI=1S/C6H10O2/c1-2-7-3-5(1)6-4-8-6/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeyHEMSSMIBAFJYAM-WDSKDSINSA-N
XLogP0.42
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-3-[(2R)-oxiran-2-yl]oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2R)-oxiran-2-yl]oxolane?
The IUPAC name of (3S)-3-[(2R)-oxiran-2-yl]oxolane (CID 94590793) is (3S)-3-[(2R)-oxiran-2-yl]oxolane.
What is the SMILES notation for (3S)-3-[(2R)-oxiran-2-yl]oxolane?
The canonical SMILES for (3S)-3-[(2R)-oxiran-2-yl]oxolane is C1C[C@H]([C@@H]2CO2)CO1.
What is the InChIKey of (3S)-3-[(2R)-oxiran-2-yl]oxolane?
The InChIKey is HEMSSMIBAFJYAM-WDSKDSINSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-7-3-5(1)6-4-8-6/h5-6H,1-4H2/t5-,6-/m0/s1.
What are the key properties of (3S)-3-[(2R)-oxiran-2-yl]oxolane?
(3S)-3-[(2R)-oxiran-2-yl]oxolane has a molecular weight of 114.14 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2R)-oxiran-2-yl]oxolane is sourced from PubChem (CID 94590793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).