2,6-bis(hydroxymethyl)pyran-4-one

C7H8O4 — CID 11019099

IUPAC2,6-bis(hydroxymethyl)pyran-4-one
SMILESO=c1cc(CO)oc(CO)c1
InChIInChI=1S/C7H8O4/c8-3-6-1-5(10)2-7(4-9)11-6/h1-2,8-9H,3-4H2
InChIKeyCFQQCVTWZDNEEE-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.38
Rot. Bonds2

About 2,6-bis(hydroxymethyl)pyran-4-one

2,6-bis(hydroxymethyl)pyran-4-one (PubChem CID 11019099) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2,6-bis(hydroxymethyl)pyran-4-one.

Molecular Properties

Compound Name2,6-bis(hydroxymethyl)pyran-4-one
PubChem CID11019099
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name2,6-bis(hydroxymethyl)pyran-4-one
SMILESO=c1cc(CO)oc(CO)c1
InChIInChI=1S/C7H8O4/c8-3-6-1-5(10)2-7(4-9)11-6/h1-2,8-9H,3-4H2
InChIKeyCFQQCVTWZDNEEE-UHFFFAOYSA-N
XLogP-0.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(hydroxymethyl)pyran-4-one?
The IUPAC name of 2,6-bis(hydroxymethyl)pyran-4-one (CID 11019099) is 2,6-bis(hydroxymethyl)pyran-4-one.
What is the SMILES notation for 2,6-bis(hydroxymethyl)pyran-4-one?
The canonical SMILES for 2,6-bis(hydroxymethyl)pyran-4-one is O=c1cc(CO)oc(CO)c1.
What is the InChIKey of 2,6-bis(hydroxymethyl)pyran-4-one?
The InChIKey is CFQQCVTWZDNEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c8-3-6-1-5(10)2-7(4-9)11-6/h1-2,8-9H,3-4H2.
What are the key properties of 2,6-bis(hydroxymethyl)pyran-4-one?
2,6-bis(hydroxymethyl)pyran-4-one has a molecular weight of 156.14 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(hydroxymethyl)pyran-4-one is sourced from PubChem (CID 11019099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).