3,4-dihydroxy-2-methyl-2H-furan-5-one

C5H6O4 — CID 54676244

IUPAC3,4-dihydroxy-2-methyl-2H-furan-5-one
SMILESCC1OC(=O)C(O)=C1O
InChIInChI=1S/C5H6O4/c1-2-3(6)4(7)5(8)9-2/h2,6-7H,1H3
InChIKeyASEPVSZWYGTTAB-UHFFFAOYSA-N
MW130.10 g/mol
LogP0.26
Rot. Bonds

About 3,4-dihydroxy-2-methyl-2H-furan-5-one

3,4-dihydroxy-2-methyl-2H-furan-5-one (PubChem CID 54676244) has the molecular formula C5H6O4 and a molecular weight of 130.10 g/mol. Its IUPAC name is 3,4-dihydroxy-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name3,4-dihydroxy-2-methyl-2H-furan-5-one
PubChem CID54676244
Molecular FormulaC5H6O4
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Name3,4-dihydroxy-2-methyl-2H-furan-5-one
SMILESCC1OC(=O)C(O)=C1O
InChIInChI=1S/C5H6O4/c1-2-3(6)4(7)5(8)9-2/h2,6-7H,1H3
InChIKeyASEPVSZWYGTTAB-UHFFFAOYSA-N
XLogP0.26
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 172764488
CID 172764488
3-hydroxy-2-methyl-4-nitro-2H-furan-5-one
CID 71330785
4-hydroxy-2-methyl-3-phenyl-2H-furan-5-one
CID 13439272
N-(3-hydroxy-2-methyl-5-oxo-2H-furan-4-yl)acetamide
CID 54689137
6-methyl-1,4-dioxane-2,3,5-trione
CID 87163287
3,4-dihydroxy-2-(1-hydroxypropan-2-yl)-2H-furan-5-one
CID 54684743
(2R)-2-[(2S)-1,2-dihydroxypropan-2-yl]-3,4-dihydroxy-2H-furan-5-one
CID 139935827
(2R)-2-[(1R)-1,2-dihydroxy-3-methylbut-2-enyl]-3,4-dihydroxy-2H-furan-5-one
CID 68975358
2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 176549717
(2S)-3,4-dihydroxy-2-(1,1,2,2-tetrahydroxyethyl)-2H-furan-5-one
CID 142655009
3,4-dihydroxy-2-(3-hydroxypropyl)-2H-furan-5-one
CID 69257607
(2S)-3,4-dihydroxy-2-[(2R)-2-hydroxy-3-methoxy-3-methylbutan-2-yl]-2H-furan-5-one
CID 176655482

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-2-methyl-2H-furan-5-one?
The IUPAC name of 3,4-dihydroxy-2-methyl-2H-furan-5-one (CID 54676244) is 3,4-dihydroxy-2-methyl-2H-furan-5-one.
What is the SMILES notation for 3,4-dihydroxy-2-methyl-2H-furan-5-one?
The canonical SMILES for 3,4-dihydroxy-2-methyl-2H-furan-5-one is CC1OC(=O)C(O)=C1O.
What is the InChIKey of 3,4-dihydroxy-2-methyl-2H-furan-5-one?
The InChIKey is ASEPVSZWYGTTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4/c1-2-3(6)4(7)5(8)9-2/h2,6-7H,1H3.
What are the key properties of 3,4-dihydroxy-2-methyl-2H-furan-5-one?
3,4-dihydroxy-2-methyl-2H-furan-5-one has a molecular weight of 130.10 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-2-methyl-2H-furan-5-one is sourced from PubChem (CID 54676244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).