(2R,4R,5R)-5-hydroxy-2,4-dimethyl-3-oxohexanoic acid

C8H14O4 — CID 54351758

IUPAC(2R,4R,5R)-5-hydroxy-2,4-dimethyl-3-oxohexanoic acid
SMILESC[C@@H](C(=O)O)C(=O)[C@H](C)[C@@H](C)O
InChIInChI=1S/C8H14O4/c1-4(6(3)9)7(10)5(2)8(11)12/h4-6,9H,1-3H3,(H,11,12)/t4-,5-,6-/m1/s1
InChIKeyUGGOGEYWDDANNV-HSUXUTPPSA-N
MW174.20 g/mol
LogP0.29
Rot. Bonds4

About (2R,4R,5R)-5-hydroxy-2,4-dimethyl-3-oxohexanoic acid

(2R,4R,5R)-5-hydroxy-2,4-dimethyl-3-oxohexanoic acid (PubChem CID 54351758) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2R,4R,5R)-5-hydroxy-2,4-dimethyl-3-oxohexanoic acid.

Molecular Properties

Compound Name(2R,4R,5R)-5-hydroxy-2,4-dimethyl-3-oxohexanoic acid
PubChem CID54351758
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(2R,4R,5R)-5-hydroxy-2,4-dimethyl-3-oxohexanoic acid
SMILESC[C@@H](C(=O)O)C(=O)[C@H](C)[C@@H](C)O
InChIInChI=1S/C8H14O4/c1-4(6(3)9)7(10)5(2)8(11)12/h4-6,9H,1-3H3,(H,11,12)/t4-,5-,6-/m1/s1
InChIKeyUGGOGEYWDDANNV-HSUXUTPPSA-N
XLogP0.29
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2R,4R,5R)-5-hydroxy-2,4-dimethyl-3-oxohexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-difluoro-2-methyl-3-oxobutanoic acid
CID 129278724
(2S,3S)-3-hydroxy-2-(trideuteriomethyl)butanoic acid
CID 169441958
(4S)-4-hydroxy-2,3-dimethylpentanoic acid
CID 146599798
2-hydroxypropanoic acid
CID 87075455
azane;2-hydroxypropanoic acid;oxotitanium
CID 175450174
tetrakis(2-hydroxypropanoic acid);manganese
CID 167442579
CID 11776805
CID 11776805
bis(2-hydroxypropanoic acid);titanium
CID 173417954
2-hydroxypropanoic acid;tetrahydrate
CID 141343914
CID 131877347
CID 131877347
2-hydroxypropanoic acid;mercury
CID 88512020
calcium hexakis(2-hydroxypropanoic acid)
CID 162368187

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-5-hydroxy-2,4-dimethyl-3-oxohexanoic acid?
The IUPAC name of (2R,4R,5R)-5-hydroxy-2,4-dimethyl-3-oxohexanoic acid (CID 54351758) is (2R,4R,5R)-5-hydroxy-2,4-dimethyl-3-oxohexanoic acid.
What is the SMILES notation for (2R,4R,5R)-5-hydroxy-2,4-dimethyl-3-oxohexanoic acid?
The canonical SMILES for (2R,4R,5R)-5-hydroxy-2,4-dimethyl-3-oxohexanoic acid is C[C@@H](C(=O)O)C(=O)[C@H](C)[C@@H](C)O.
What is the InChIKey of (2R,4R,5R)-5-hydroxy-2,4-dimethyl-3-oxohexanoic acid?
The InChIKey is UGGOGEYWDDANNV-HSUXUTPPSA-N. The full InChI is InChI=1S/C8H14O4/c1-4(6(3)9)7(10)5(2)8(11)12/h4-6,9H,1-3H3,(H,11,12)/t4-,5-,6-/m1/s1.
What are the key properties of (2R,4R,5R)-5-hydroxy-2,4-dimethyl-3-oxohexanoic acid?
(2R,4R,5R)-5-hydroxy-2,4-dimethyl-3-oxohexanoic acid has a molecular weight of 174.20 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-5-hydroxy-2,4-dimethyl-3-oxohexanoic acid is sourced from PubChem (CID 54351758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).