bis[(2S)-oxiran-2-yl]methanol

C5H8O3 — CID 13025415

IUPACbis[(2S)-oxiran-2-yl]methanol
SMILESOC([C@@H]1CO1)[C@@H]1CO1
InChIInChI=1S/C5H8O3/c6-5(3-1-7-3)4-2-8-4/h3-6H,1-2H2/t3-,4-/m0/s1
InChIKeyNJMLSGAKXLDYKJ-IMJSIDKUSA-N
MW116.12 g/mol
LogP-0.86
Rot. Bonds2

About bis[(2S)-oxiran-2-yl]methanol

bis[(2S)-oxiran-2-yl]methanol (PubChem CID 13025415) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is bis[(2S)-oxiran-2-yl]methanol.

Molecular Properties

Compound Namebis[(2S)-oxiran-2-yl]methanol
PubChem CID13025415
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Namebis[(2S)-oxiran-2-yl]methanol
SMILESOC([C@@H]1CO1)[C@@H]1CO1
InChIInChI=1S/C5H8O3/c6-5(3-1-7-3)4-2-8-4/h3-6H,1-2H2/t3-,4-/m0/s1
InChIKeyNJMLSGAKXLDYKJ-IMJSIDKUSA-N
XLogP-0.86
TPSA45.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis[(2S)-oxiran-2-yl]methanol 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 bis[(2S)-oxiran-2-yl]methanol?
The IUPAC name of bis[(2S)-oxiran-2-yl]methanol (CID 13025415) is bis[(2S)-oxiran-2-yl]methanol.
What is the SMILES notation for bis[(2S)-oxiran-2-yl]methanol?
The canonical SMILES for bis[(2S)-oxiran-2-yl]methanol is OC([C@@H]1CO1)[C@@H]1CO1.
What is the InChIKey of bis[(2S)-oxiran-2-yl]methanol?
The InChIKey is NJMLSGAKXLDYKJ-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H8O3/c6-5(3-1-7-3)4-2-8-4/h3-6H,1-2H2/t3-,4-/m0/s1.
What are the key properties of bis[(2S)-oxiran-2-yl]methanol?
bis[(2S)-oxiran-2-yl]methanol has a molecular weight of 116.12 g/mol, XLogP of -0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2S)-oxiran-2-yl]methanol is sourced from PubChem (CID 13025415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).