ethoxyethane;5-hydroxy-2-(hydroxymethyl)pyran-4-one

C10H16O5 — CID 87501281

IUPACethoxyethane;5-hydroxy-2-(hydroxymethyl)pyran-4-one
SMILESCCOCC.O=c1cc(CO)occ1O
InChIInChI=1S/C6H6O4.C4H10O/c7-2-4-1-5(8)6(9)3-10-4;1-3-5-4-2/h1,3,7,9H,2H2;3-4H2,1-2H3
InChIKeyOEOFNIOPVAUESH-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.88
Rot. Bonds3

About ethoxyethane;5-hydroxy-2-(hydroxymethyl)pyran-4-one

ethoxyethane;5-hydroxy-2-(hydroxymethyl)pyran-4-one (PubChem CID 87501281) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is ethoxyethane;5-hydroxy-2-(hydroxymethyl)pyran-4-one.

Molecular Properties

Compound Nameethoxyethane;5-hydroxy-2-(hydroxymethyl)pyran-4-one
PubChem CID87501281
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Nameethoxyethane;5-hydroxy-2-(hydroxymethyl)pyran-4-one
SMILESCCOCC.O=c1cc(CO)occ1O
InChIInChI=1S/C6H6O4.C4H10O/c7-2-4-1-5(8)6(9)3-10-4;1-3-5-4-2/h1,3,7,9H,2H2;3-4H2,1-2H3
InChIKeyOEOFNIOPVAUESH-UHFFFAOYSA-N
XLogP0.88
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethoxyethane;5-hydroxy-2-(hydroxymethyl)pyran-4-one?
The IUPAC name of ethoxyethane;5-hydroxy-2-(hydroxymethyl)pyran-4-one (CID 87501281) is ethoxyethane;5-hydroxy-2-(hydroxymethyl)pyran-4-one.
What is the SMILES notation for ethoxyethane;5-hydroxy-2-(hydroxymethyl)pyran-4-one?
The canonical SMILES for ethoxyethane;5-hydroxy-2-(hydroxymethyl)pyran-4-one is CCOCC.O=c1cc(CO)occ1O.
What is the InChIKey of ethoxyethane;5-hydroxy-2-(hydroxymethyl)pyran-4-one?
The InChIKey is OEOFNIOPVAUESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4.C4H10O/c7-2-4-1-5(8)6(9)3-10-4;1-3-5-4-2/h1,3,7,9H,2H2;3-4H2,1-2H3.
What are the key properties of ethoxyethane;5-hydroxy-2-(hydroxymethyl)pyran-4-one?
ethoxyethane;5-hydroxy-2-(hydroxymethyl)pyran-4-one has a molecular weight of 216.23 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;5-hydroxy-2-(hydroxymethyl)pyran-4-one is sourced from PubChem (CID 87501281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).