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

C10H14O5 — CID 18780367

IUPAC4-hydroxy-2-(2-hydroxy-3-oxobutyl)-2,5-dimethylfuran-3-one
SMILESCC(=O)C(O)CC1(C)OC(C)=C(O)C1=O
InChIInChI=1S/C10H14O5/c1-5(11)7(12)4-10(3)9(14)8(13)6(2)15-10/h7,12-13H,4H2,1-3H3
InChIKeyYHKZYUSJWXAJOA-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.47
Rot. Bonds3

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

4-hydroxy-2-(2-hydroxy-3-oxobutyl)-2,5-dimethylfuran-3-one (PubChem CID 18780367) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-hydroxy-2-(2-hydroxy-3-oxobutyl)-2,5-dimethylfuran-3-one.

Molecular Properties

Compound Name4-hydroxy-2-(2-hydroxy-3-oxobutyl)-2,5-dimethylfuran-3-one
PubChem CID18780367
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name4-hydroxy-2-(2-hydroxy-3-oxobutyl)-2,5-dimethylfuran-3-one
SMILESCC(=O)C(O)CC1(C)OC(C)=C(O)C1=O
InChIInChI=1S/C10H14O5/c1-5(11)7(12)4-10(3)9(14)8(13)6(2)15-10/h7,12-13H,4H2,1-3H3
InChIKeyYHKZYUSJWXAJOA-UHFFFAOYSA-N
XLogP0.47
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.47
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-oxobutyl)-2,5-dimethylfuran-3-one?
The IUPAC name of 4-hydroxy-2-(2-hydroxy-3-oxobutyl)-2,5-dimethylfuran-3-one (CID 18780367) is 4-hydroxy-2-(2-hydroxy-3-oxobutyl)-2,5-dimethylfuran-3-one.
What is the SMILES notation for 4-hydroxy-2-(2-hydroxy-3-oxobutyl)-2,5-dimethylfuran-3-one?
The canonical SMILES for 4-hydroxy-2-(2-hydroxy-3-oxobutyl)-2,5-dimethylfuran-3-one is CC(=O)C(O)CC1(C)OC(C)=C(O)C1=O.
What is the InChIKey of 4-hydroxy-2-(2-hydroxy-3-oxobutyl)-2,5-dimethylfuran-3-one?
The InChIKey is YHKZYUSJWXAJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-5(11)7(12)4-10(3)9(14)8(13)6(2)15-10/h7,12-13H,4H2,1-3H3.
What are the key properties of 4-hydroxy-2-(2-hydroxy-3-oxobutyl)-2,5-dimethylfuran-3-one?
4-hydroxy-2-(2-hydroxy-3-oxobutyl)-2,5-dimethylfuran-3-one has a molecular weight of 214.22 g/mol, XLogP of 0.47, 3 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-oxobutyl)-2,5-dimethylfuran-3-one is sourced from PubChem (CID 18780367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).