oxirane;prop-2-yn-1-ol

C5H8O2 — CID 88711516

IUPACoxirane;prop-2-yn-1-ol
SMILESC#CCO.C1CO1
InChIInChI=1S/C3H4O.C2H4O/c1-2-3-4;1-2-3-1/h1,4H,3H2;1-2H2
InChIKeyUVWVGJHUFCYHDI-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.37
Rot. Bonds

About oxirane;prop-2-yn-1-ol

oxirane;prop-2-yn-1-ol (PubChem CID 88711516) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is oxirane;prop-2-yn-1-ol.

Molecular Properties

Compound Nameoxirane;prop-2-yn-1-ol
PubChem CID88711516
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Nameoxirane;prop-2-yn-1-ol
SMILESC#CCO.C1CO1
InChIInChI=1S/C3H4O.C2H4O/c1-2-3-4;1-2-3-1/h1,4H,3H2;1-2H2
InChIKeyUVWVGJHUFCYHDI-UHFFFAOYSA-N
XLogP-0.37
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxirane;prop-2-yn-1-ol?
The IUPAC name of oxirane;prop-2-yn-1-ol (CID 88711516) is oxirane;prop-2-yn-1-ol.
What is the SMILES notation for oxirane;prop-2-yn-1-ol?
The canonical SMILES for oxirane;prop-2-yn-1-ol is C#CCO.C1CO1.
What is the InChIKey of oxirane;prop-2-yn-1-ol?
The InChIKey is UVWVGJHUFCYHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O.C2H4O/c1-2-3-4;1-2-3-1/h1,4H,3H2;1-2H2.
What are the key properties of oxirane;prop-2-yn-1-ol?
oxirane;prop-2-yn-1-ol has a molecular weight of 100.12 g/mol, XLogP of -0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxirane;prop-2-yn-1-ol is sourced from PubChem (CID 88711516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).