5-(2-hydroxyethoxy)-2-(hydroxymethyl)pyran-4-one

C8H10O5 — CID 79872385

IUPAC5-(2-hydroxyethoxy)-2-(hydroxymethyl)pyran-4-one
SMILESO=c1cc(CO)occ1OCCO
InChIInChI=1S/C8H10O5/c9-1-2-12-8-5-13-6(4-10)3-7(8)11/h3,5,9-10H,1-2,4H2
InChIKeyKLRYDFULBARYRV-UHFFFAOYSA-N
MW186.16 g/mol
LogP-0.50
Rot. Bonds4

About 5-(2-hydroxyethoxy)-2-(hydroxymethyl)pyran-4-one

5-(2-hydroxyethoxy)-2-(hydroxymethyl)pyran-4-one (PubChem CID 79872385) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is 5-(2-hydroxyethoxy)-2-(hydroxymethyl)pyran-4-one.

Molecular Properties

Compound Name5-(2-hydroxyethoxy)-2-(hydroxymethyl)pyran-4-one
PubChem CID79872385
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name5-(2-hydroxyethoxy)-2-(hydroxymethyl)pyran-4-one
SMILESO=c1cc(CO)occ1OCCO
InChIInChI=1S/C8H10O5/c9-1-2-12-8-5-13-6(4-10)3-7(8)11/h3,5,9-10H,1-2,4H2
InChIKeyKLRYDFULBARYRV-UHFFFAOYSA-N
XLogP-0.50
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethoxy)-2-(hydroxymethyl)pyran-4-one?
The IUPAC name of 5-(2-hydroxyethoxy)-2-(hydroxymethyl)pyran-4-one (CID 79872385) is 5-(2-hydroxyethoxy)-2-(hydroxymethyl)pyran-4-one.
What is the SMILES notation for 5-(2-hydroxyethoxy)-2-(hydroxymethyl)pyran-4-one?
The canonical SMILES for 5-(2-hydroxyethoxy)-2-(hydroxymethyl)pyran-4-one is O=c1cc(CO)occ1OCCO.
What is the InChIKey of 5-(2-hydroxyethoxy)-2-(hydroxymethyl)pyran-4-one?
The InChIKey is KLRYDFULBARYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5/c9-1-2-12-8-5-13-6(4-10)3-7(8)11/h3,5,9-10H,1-2,4H2.
What are the key properties of 5-(2-hydroxyethoxy)-2-(hydroxymethyl)pyran-4-one?
5-(2-hydroxyethoxy)-2-(hydroxymethyl)pyran-4-one has a molecular weight of 186.16 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethoxy)-2-(hydroxymethyl)pyran-4-one is sourced from PubChem (CID 79872385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).