[(2S,3S)-3-ethenyloxiran-2-yl]methanol

C5H8O2 — CID 5324178

IUPAC[(2S,3S)-3-ethenyloxiran-2-yl]methanol
SMILESC=C[C@@H]1O[C@H]1CO
InChIInChI=1S/C5H8O2/c1-2-4-5(3-6)7-4/h2,4-6H,1,3H2/t4-,5-/m0/s1
InChIKeyJOODUMVMXMJPTD-WHFBIAKZSA-N
MW100.12 g/mol
LogP-0.07
Rot. Bonds2

About [(2S,3S)-3-ethenyloxiran-2-yl]methanol

[(2S,3S)-3-ethenyloxiran-2-yl]methanol (PubChem CID 5324178) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is [(2S,3S)-3-ethenyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-ethenyloxiran-2-yl]methanol
PubChem CID5324178
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name[(2S,3S)-3-ethenyloxiran-2-yl]methanol
SMILESC=C[C@@H]1O[C@H]1CO
InChIInChI=1S/C5H8O2/c1-2-4-5(3-6)7-4/h2,4-6H,1,3H2/t4-,5-/m0/s1
InChIKeyJOODUMVMXMJPTD-WHFBIAKZSA-N
XLogP-0.07
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-ethenyloxiran-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-ethenyloxiran-2-yl]methanol (CID 5324178) is [(2S,3S)-3-ethenyloxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-ethenyloxiran-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-ethenyloxiran-2-yl]methanol is C=C[C@@H]1O[C@H]1CO.
What is the InChIKey of [(2S,3S)-3-ethenyloxiran-2-yl]methanol?
The InChIKey is JOODUMVMXMJPTD-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H8O2/c1-2-4-5(3-6)7-4/h2,4-6H,1,3H2/t4-,5-/m0/s1.
What are the key properties of [(2S,3S)-3-ethenyloxiran-2-yl]methanol?
[(2S,3S)-3-ethenyloxiran-2-yl]methanol has a molecular weight of 100.12 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-ethenyloxiran-2-yl]methanol is sourced from PubChem (CID 5324178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).