4-hydroxy-2-(2-hydroxy-3-oxobutan-2-yl)-5-methylfuran-3-one

C9H12O5 — CID 70270037

IUPAC4-hydroxy-2-(2-hydroxy-3-oxobutan-2-yl)-5-methylfuran-3-one
SMILESCC(=O)C(C)(O)C1OC(C)=C(O)C1=O
InChIInChI=1S/C9H12O5/c1-4-6(11)7(12)8(14-4)9(3,13)5(2)10/h8,11,13H,1-3H3
InChIKeyRVKKZBJRPGUNNP-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.08
Rot. Bonds2

About 4-hydroxy-2-(2-hydroxy-3-oxobutan-2-yl)-5-methylfuran-3-one

4-hydroxy-2-(2-hydroxy-3-oxobutan-2-yl)-5-methylfuran-3-one (PubChem CID 70270037) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is 4-hydroxy-2-(2-hydroxy-3-oxobutan-2-yl)-5-methylfuran-3-one.

Molecular Properties

Compound Name4-hydroxy-2-(2-hydroxy-3-oxobutan-2-yl)-5-methylfuran-3-one
PubChem CID70270037
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Name4-hydroxy-2-(2-hydroxy-3-oxobutan-2-yl)-5-methylfuran-3-one
SMILESCC(=O)C(C)(O)C1OC(C)=C(O)C1=O
InChIInChI=1S/C9H12O5/c1-4-6(11)7(12)8(14-4)9(3,13)5(2)10/h8,11,13H,1-3H3
InChIKeyRVKKZBJRPGUNNP-UHFFFAOYSA-N
XLogP0.08
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-hydroxy-3-oxobutan-2-yl)-5-methylfuran-3-one?
The IUPAC name of 4-hydroxy-2-(2-hydroxy-3-oxobutan-2-yl)-5-methylfuran-3-one (CID 70270037) is 4-hydroxy-2-(2-hydroxy-3-oxobutan-2-yl)-5-methylfuran-3-one.
What is the SMILES notation for 4-hydroxy-2-(2-hydroxy-3-oxobutan-2-yl)-5-methylfuran-3-one?
The canonical SMILES for 4-hydroxy-2-(2-hydroxy-3-oxobutan-2-yl)-5-methylfuran-3-one is CC(=O)C(C)(O)C1OC(C)=C(O)C1=O.
What is the InChIKey of 4-hydroxy-2-(2-hydroxy-3-oxobutan-2-yl)-5-methylfuran-3-one?
The InChIKey is RVKKZBJRPGUNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c1-4-6(11)7(12)8(14-4)9(3,13)5(2)10/h8,11,13H,1-3H3.
What are the key properties of 4-hydroxy-2-(2-hydroxy-3-oxobutan-2-yl)-5-methylfuran-3-one?
4-hydroxy-2-(2-hydroxy-3-oxobutan-2-yl)-5-methylfuran-3-one has a molecular weight of 200.19 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-hydroxy-3-oxobutan-2-yl)-5-methylfuran-3-one is sourced from PubChem (CID 70270037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).