[(2S)-oxiran-2-yl]methyl (2S)-oxirane-2-carboxylate

C6H8O4 — CID 129390267

IUPAC[(2S)-oxiran-2-yl]methyl (2S)-oxirane-2-carboxylate
SMILESO=C(OC[C@@H]1CO1)[C@@H]1CO1
InChIInChI=1S/C6H8O4/c7-6(5-3-9-5)10-2-4-1-8-4/h4-5H,1-3H2/t4-,5-/m0/s1
InChIKeyULMDIPASDLBXQF-WHFBIAKZSA-N
MW144.13 g/mol
LogP-0.67
Rot. Bonds3

About [(2S)-oxiran-2-yl]methyl (2S)-oxirane-2-carboxylate

[(2S)-oxiran-2-yl]methyl (2S)-oxirane-2-carboxylate (PubChem CID 129390267) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is [(2S)-oxiran-2-yl]methyl (2S)-oxirane-2-carboxylate.

Molecular Properties

Compound Name[(2S)-oxiran-2-yl]methyl (2S)-oxirane-2-carboxylate
PubChem CID129390267
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name[(2S)-oxiran-2-yl]methyl (2S)-oxirane-2-carboxylate
SMILESO=C(OC[C@@H]1CO1)[C@@H]1CO1
InChIInChI=1S/C6H8O4/c7-6(5-3-9-5)10-2-4-1-8-4/h4-5H,1-3H2/t4-,5-/m0/s1
InChIKeyULMDIPASDLBXQF-WHFBIAKZSA-N
XLogP-0.67
TPSA51.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2S)-oxiran-2-yl]methyl (2S)-oxirane-2-carboxylate 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 [(2S)-oxiran-2-yl]methyl (2S)-oxirane-2-carboxylate?
The IUPAC name of [(2S)-oxiran-2-yl]methyl (2S)-oxirane-2-carboxylate (CID 129390267) is [(2S)-oxiran-2-yl]methyl (2S)-oxirane-2-carboxylate.
What is the SMILES notation for [(2S)-oxiran-2-yl]methyl (2S)-oxirane-2-carboxylate?
The canonical SMILES for [(2S)-oxiran-2-yl]methyl (2S)-oxirane-2-carboxylate is O=C(OC[C@@H]1CO1)[C@@H]1CO1.
What is the InChIKey of [(2S)-oxiran-2-yl]methyl (2S)-oxirane-2-carboxylate?
The InChIKey is ULMDIPASDLBXQF-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H8O4/c7-6(5-3-9-5)10-2-4-1-8-4/h4-5H,1-3H2/t4-,5-/m0/s1.
What are the key properties of [(2S)-oxiran-2-yl]methyl (2S)-oxirane-2-carboxylate?
[(2S)-oxiran-2-yl]methyl (2S)-oxirane-2-carboxylate has a molecular weight of 144.13 g/mol, XLogP of -0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxiran-2-yl]methyl (2S)-oxirane-2-carboxylate is sourced from PubChem (CID 129390267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).