(2R)-3-hydroxy-2,4-dimethyl-2H-furan-5-one

C6H8O3 — CID 129396758

IUPAC(2R)-3-hydroxy-2,4-dimethyl-2H-furan-5-one
SMILESCC1=C(O)[C@@H](C)OC1=O
InChIInChI=1S/C6H8O3/c1-3-5(7)4(2)9-6(3)8/h4,7H,1-2H3/t4-/m1/s1
InChIKeyYDFWUMWMONMZLA-SCSAIBSYSA-N
MW128.13 g/mol
LogP0.76
Rot. Bonds

About (2R)-3-hydroxy-2,4-dimethyl-2H-furan-5-one

(2R)-3-hydroxy-2,4-dimethyl-2H-furan-5-one (PubChem CID 129396758) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is (2R)-3-hydroxy-2,4-dimethyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-3-hydroxy-2,4-dimethyl-2H-furan-5-one
PubChem CID129396758
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name(2R)-3-hydroxy-2,4-dimethyl-2H-furan-5-one
SMILESCC1=C(O)[C@@H](C)OC1=O
InChIInChI=1S/C6H8O3/c1-3-5(7)4(2)9-6(3)8/h4,7H,1-2H3/t4-/m1/s1
InChIKeyYDFWUMWMONMZLA-SCSAIBSYSA-N
XLogP0.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2,4-dimethyl-2H-furan-5-one?
The IUPAC name of (2R)-3-hydroxy-2,4-dimethyl-2H-furan-5-one (CID 129396758) is (2R)-3-hydroxy-2,4-dimethyl-2H-furan-5-one.
What is the SMILES notation for (2R)-3-hydroxy-2,4-dimethyl-2H-furan-5-one?
The canonical SMILES for (2R)-3-hydroxy-2,4-dimethyl-2H-furan-5-one is CC1=C(O)[C@@H](C)OC1=O.
What is the InChIKey of (2R)-3-hydroxy-2,4-dimethyl-2H-furan-5-one?
The InChIKey is YDFWUMWMONMZLA-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H8O3/c1-3-5(7)4(2)9-6(3)8/h4,7H,1-2H3/t4-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2,4-dimethyl-2H-furan-5-one?
(2R)-3-hydroxy-2,4-dimethyl-2H-furan-5-one has a molecular weight of 128.13 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2,4-dimethyl-2H-furan-5-one is sourced from PubChem (CID 129396758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).