2-ethenyl-3-methyloxiran-2-ol

C5H8O2 — CID 87844627

IUPAC2-ethenyl-3-methyloxiran-2-ol
SMILESC=CC1(O)OC1C
InChIInChI=1S/C5H8O2/c1-3-5(6)4(2)7-5/h3-4,6H,1H2,2H3
InChIKeyHUQNGKOAUDMGFO-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.28
Rot. Bonds1

About 2-ethenyl-3-methyloxiran-2-ol

2-ethenyl-3-methyloxiran-2-ol (PubChem CID 87844627) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 2-ethenyl-3-methyloxiran-2-ol.

Molecular Properties

Compound Name2-ethenyl-3-methyloxiran-2-ol
PubChem CID87844627
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name2-ethenyl-3-methyloxiran-2-ol
SMILESC=CC1(O)OC1C
InChIInChI=1S/C5H8O2/c1-3-5(6)4(2)7-5/h3-4,6H,1H2,2H3
InChIKeyHUQNGKOAUDMGFO-UHFFFAOYSA-N
XLogP0.28
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.28
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 2-ethenyl-3-methyloxiran-2-ol?
The IUPAC name of 2-ethenyl-3-methyloxiran-2-ol (CID 87844627) is 2-ethenyl-3-methyloxiran-2-ol.
What is the SMILES notation for 2-ethenyl-3-methyloxiran-2-ol?
The canonical SMILES for 2-ethenyl-3-methyloxiran-2-ol is C=CC1(O)OC1C.
What is the InChIKey of 2-ethenyl-3-methyloxiran-2-ol?
The InChIKey is HUQNGKOAUDMGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-3-5(6)4(2)7-5/h3-4,6H,1H2,2H3.
What are the key properties of 2-ethenyl-3-methyloxiran-2-ol?
2-ethenyl-3-methyloxiran-2-ol has a molecular weight of 100.12 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-methyloxiran-2-ol is sourced from PubChem (CID 87844627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).