3-hydroxy-6-(hydroxymethyl)-2,3-dihydropyran-4-one

C6H8O4 — CID 45083514

IUPAC3-hydroxy-6-(hydroxymethyl)-2,3-dihydropyran-4-one
SMILESO=C1C=C(CO)OCC1O
InChIInChI=1S/C6H8O4/c7-2-4-1-5(8)6(9)3-10-4/h1,6-7,9H,2-3H2
InChIKeyJIBXVSFSACWYDE-UHFFFAOYSA-N
MW144.13 g/mol
LogP-1.18
Rot. Bonds1

About 3-hydroxy-6-(hydroxymethyl)-2,3-dihydropyran-4-one

3-hydroxy-6-(hydroxymethyl)-2,3-dihydropyran-4-one (PubChem CID 45083514) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 3-hydroxy-6-(hydroxymethyl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name3-hydroxy-6-(hydroxymethyl)-2,3-dihydropyran-4-one
PubChem CID45083514
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name3-hydroxy-6-(hydroxymethyl)-2,3-dihydropyran-4-one
SMILESO=C1C=C(CO)OCC1O
InChIInChI=1S/C6H8O4/c7-2-4-1-5(8)6(9)3-10-4/h1,6-7,9H,2-3H2
InChIKeyJIBXVSFSACWYDE-UHFFFAOYSA-N
XLogP-1.18
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-(hydroxymethyl)-6-methyl-4H-pyran-4-one
CID 10511097
3,6-bis(hydroxymethyl)-2-methyl-4H-pyran-4-one
CID 131340
3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone
CID 2747691
Erinapyrone A
CID 10396933
2H-Pyran-3,4-dione, 6-(hydroxymethyl)-
CID 10149002
3-Hydroxy-2-(1-hydroxybutyl)-6-methylpyran-4-one
CID 10584101
6-Methylkojic acid
CID 97371
6-(Hydroxymethyl)-2-methyl-2,3-dihydropyran-4-one
CID 45083461
2-Allyl-3-hydroxy-6-methylol-pyran-4-one
CID 20579588
Ethyl 1-(1,1-dioxido-1,2-benzisothiazol-3-yl)-4-piperidinecarboxylate
CID 529485
4-hydroxy-6-(hydroxymethyl)-4H-pyran-3-one
CID 5326557
3-Hydroxy-4-oxo-2,3-dihydropyran-6-carbaldehyde
CID 529484

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(hydroxymethyl)-2,3-dihydropyran-4-one?
The IUPAC name of 3-hydroxy-6-(hydroxymethyl)-2,3-dihydropyran-4-one (CID 45083514) is 3-hydroxy-6-(hydroxymethyl)-2,3-dihydropyran-4-one.
What is the SMILES notation for 3-hydroxy-6-(hydroxymethyl)-2,3-dihydropyran-4-one?
The canonical SMILES for 3-hydroxy-6-(hydroxymethyl)-2,3-dihydropyran-4-one is O=C1C=C(CO)OCC1O.
What is the InChIKey of 3-hydroxy-6-(hydroxymethyl)-2,3-dihydropyran-4-one?
The InChIKey is JIBXVSFSACWYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c7-2-4-1-5(8)6(9)3-10-4/h1,6-7,9H,2-3H2.
What are the key properties of 3-hydroxy-6-(hydroxymethyl)-2,3-dihydropyran-4-one?
3-hydroxy-6-(hydroxymethyl)-2,3-dihydropyran-4-one has a molecular weight of 144.13 g/mol, XLogP of -1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(hydroxymethyl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 45083514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).