ethenyl acetate;2-hydroxy-2H-furan-5-one

C8H10O5 — CID 174707954

IUPACethenyl acetate;2-hydroxy-2H-furan-5-one
SMILESC=COC(C)=O.O=C1C=CC(O)O1
InChIInChI=1S/C4H4O3.C4H6O2/c5-3-1-2-4(6)7-3;1-3-6-4(2)5/h1-3,5H;3H,1H2,2H3
InChIKeyLJPXQMHOEIJQDB-UHFFFAOYSA-N
MW186.16 g/mol
LogP0.11
Rot. Bonds1

About ethenyl acetate;2-hydroxy-2H-furan-5-one

ethenyl acetate;2-hydroxy-2H-furan-5-one (PubChem CID 174707954) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is ethenyl acetate;2-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Nameethenyl acetate;2-hydroxy-2H-furan-5-one
PubChem CID174707954
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Nameethenyl acetate;2-hydroxy-2H-furan-5-one
SMILESC=COC(C)=O.O=C1C=CC(O)O1
InChIInChI=1S/C4H4O3.C4H6O2/c5-3-1-2-4(6)7-3;1-3-6-4(2)5/h1-3,5H;3H,1H2,2H3
InChIKeyLJPXQMHOEIJQDB-UHFFFAOYSA-N
XLogP0.11
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;2-hydroxy-2H-furan-5-one?
The IUPAC name of ethenyl acetate;2-hydroxy-2H-furan-5-one (CID 174707954) is ethenyl acetate;2-hydroxy-2H-furan-5-one.
What is the SMILES notation for ethenyl acetate;2-hydroxy-2H-furan-5-one?
The canonical SMILES for ethenyl acetate;2-hydroxy-2H-furan-5-one is C=COC(C)=O.O=C1C=CC(O)O1.
What is the InChIKey of ethenyl acetate;2-hydroxy-2H-furan-5-one?
The InChIKey is LJPXQMHOEIJQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O3.C4H6O2/c5-3-1-2-4(6)7-3;1-3-6-4(2)5/h1-3,5H;3H,1H2,2H3.
What are the key properties of ethenyl acetate;2-hydroxy-2H-furan-5-one?
ethenyl acetate;2-hydroxy-2H-furan-5-one has a molecular weight of 186.16 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;2-hydroxy-2H-furan-5-one is sourced from PubChem (CID 174707954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).