(2R)-4-hydroxy-2,5-dimethylfuran-3-one

C6H8O3 — CID 23618097

IUPAC(2R)-4-hydroxy-2,5-dimethylfuran-3-one
SMILESCC1=C(O)C(=O)[C@@H](C)O1
InChIInChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3/t3-/m1/s1
InChIKeyINAXVXBDKKUCGI-GSVOUGTGSA-N
MW128.13 g/mol
LogP0.76
Rot. Bonds

About (2R)-4-hydroxy-2,5-dimethylfuran-3-one

(2R)-4-hydroxy-2,5-dimethylfuran-3-one (PubChem CID 23618097) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is (2R)-4-hydroxy-2,5-dimethylfuran-3-one.

Molecular Properties

Compound Name(2R)-4-hydroxy-2,5-dimethylfuran-3-one
PubChem CID23618097
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name(2R)-4-hydroxy-2,5-dimethylfuran-3-one
SMILESCC1=C(O)C(=O)[C@@H](C)O1
InChIInChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3/t3-/m1/s1
InChIKeyINAXVXBDKKUCGI-GSVOUGTGSA-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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Related Compounds

Furaneol
CID 19309
4-Hydroxy-5-methyl-3(2H)-furanone
CID 4564493
Homofuraneol
CID 33931
2,5-dimethyl-4-methoxy-3(2H)-furanone
CID 61325
2,5-Dimethyl-4-ethoxy-3(2H)-furanone
CID 3017596
5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone
CID 93111
Npc302481
CID 538757
4-hydroxy-5-methyl-2-propyl-3(2H)-furanone
CID 12730529
Furaneol (keto form)
CID 25200937
(2r)-2-Ethyl-4-Hydroxy-5-Methylfuran-3(2h)-One
CID 51417250
2H-Furan-3-one, 2,4,5-trimethyl
CID 15801252
2,5-Dimethyl-4-butoxy-3(2H)furanone
CID 10797578

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2,5-dimethylfuran-3-one?
The IUPAC name of (2R)-4-hydroxy-2,5-dimethylfuran-3-one (CID 23618097) is (2R)-4-hydroxy-2,5-dimethylfuran-3-one.
What is the SMILES notation for (2R)-4-hydroxy-2,5-dimethylfuran-3-one?
The canonical SMILES for (2R)-4-hydroxy-2,5-dimethylfuran-3-one is CC1=C(O)C(=O)[C@@H](C)O1.
What is the InChIKey of (2R)-4-hydroxy-2,5-dimethylfuran-3-one?
The InChIKey is INAXVXBDKKUCGI-GSVOUGTGSA-N. The full InChI is InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3/t3-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2,5-dimethylfuran-3-one?
(2R)-4-hydroxy-2,5-dimethylfuran-3-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)-4-hydroxy-2,5-dimethylfuran-3-one is sourced from PubChem (CID 23618097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).