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

C5H6O4 — CID 20979471

IUPAC3,4-dihydroxy-5-methyl-3H-furan-2-one
SMILESCC1=C(O)C(O)C(=O)O1
InChIInChI=1S/C5H6O4/c1-2-3(6)4(7)5(8)9-2/h4,6-7H,1H3
InChIKeyIYWVFBWMQOKJRS-UHFFFAOYSA-N
MW130.10 g/mol
LogP-0.31
Rot. Bonds

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

3,4-dihydroxy-5-methyl-3H-furan-2-one (PubChem CID 20979471) has the molecular formula C5H6O4 and a molecular weight of 130.10 g/mol. Its IUPAC name is 3,4-dihydroxy-5-methyl-3H-furan-2-one.

Molecular Properties

Compound Name3,4-dihydroxy-5-methyl-3H-furan-2-one
PubChem CID20979471
Molecular FormulaC5H6O4
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Name3,4-dihydroxy-5-methyl-3H-furan-2-one
SMILESCC1=C(O)C(O)C(=O)O1
InChIInChI=1S/C5H6O4/c1-2-3(6)4(7)5(8)9-2/h4,6-7H,1H3
InChIKeyIYWVFBWMQOKJRS-UHFFFAOYSA-N
XLogP-0.31
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 ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-5-methyl-3H-furan-2-one?
The IUPAC name of 3,4-dihydroxy-5-methyl-3H-furan-2-one (CID 20979471) is 3,4-dihydroxy-5-methyl-3H-furan-2-one.
What is the SMILES notation for 3,4-dihydroxy-5-methyl-3H-furan-2-one?
The canonical SMILES for 3,4-dihydroxy-5-methyl-3H-furan-2-one is CC1=C(O)C(O)C(=O)O1.
What is the InChIKey of 3,4-dihydroxy-5-methyl-3H-furan-2-one?
The InChIKey is IYWVFBWMQOKJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4/c1-2-3(6)4(7)5(8)9-2/h4,6-7H,1H3.
What are the key properties of 3,4-dihydroxy-5-methyl-3H-furan-2-one?
3,4-dihydroxy-5-methyl-3H-furan-2-one has a molecular weight of 130.10 g/mol, XLogP of -0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-5-methyl-3H-furan-2-one is sourced from PubChem (CID 20979471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).