3-hydroxy-2,3-dimethylhexanoic acid

C8H16O3 — CID 14452464

IUPAC3-hydroxy-2,3-dimethylhexanoic acid
SMILESCCCC(C)(O)C(C)C(=O)O
InChIInChI=1S/C8H16O3/c1-4-5-8(3,11)6(2)7(9)10/h6,11H,4-5H2,1-3H3,(H,9,10)
InChIKeyBWXXPBBQEXIVHV-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.26
Rot. Bonds4

About 3-hydroxy-2,3-dimethylhexanoic acid

3-hydroxy-2,3-dimethylhexanoic acid (PubChem CID 14452464) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 3-hydroxy-2,3-dimethylhexanoic acid.

Molecular Properties

Compound Name3-hydroxy-2,3-dimethylhexanoic acid
PubChem CID14452464
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name3-hydroxy-2,3-dimethylhexanoic acid
SMILESCCCC(C)(O)C(C)C(=O)O
InChIInChI=1S/C8H16O3/c1-4-5-8(3,11)6(2)7(9)10/h6,11H,4-5H2,1-3H3,(H,9,10)
InChIKeyBWXXPBBQEXIVHV-UHFFFAOYSA-N
XLogP1.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-hydroxy-2,3-dimethylhexanoic 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

2-tert-butyl-3-methyl-2-propylbutanedioic acid
CID 88879853
2,4-dimethyl-3,3,4-tripropylheptanoic acid
CID 89380229
3-hydroxy-2,3,5-trimethylhexanoic acid
CID 62399218
3-ethyl-3-hydroxy-2-methylpentanoic acid
CID 13460237
3,3-ditert-butyl-2-methylheptanoic acid
CID 175018347
3-hydroxy-3,6-dimethyl-2-propylheptanoic acid
CID 83042761
2-butyl-2-tert-butyl-3-methylbutanedioic acid
CID 22666972
2-(4-methylheptan-4-yl)propanedioic acid
CID 138593580
4-methylheptane-2,3,4-triol
CID 158291327
methyl 3-hydroxy-2,3-dimethylheptanoate
CID 6422821
(2R)-2-hydroxy-2,3-dimethylbutanedioic acid
CID 87312032
ethyl 2-fluoro-3-hydroxy-3-methylhexanoate
CID 79366281

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,3-dimethylhexanoic acid?
The IUPAC name of 3-hydroxy-2,3-dimethylhexanoic acid (CID 14452464) is 3-hydroxy-2,3-dimethylhexanoic acid.
What is the SMILES notation for 3-hydroxy-2,3-dimethylhexanoic acid?
The canonical SMILES for 3-hydroxy-2,3-dimethylhexanoic acid is CCCC(C)(O)C(C)C(=O)O.
What is the InChIKey of 3-hydroxy-2,3-dimethylhexanoic acid?
The InChIKey is BWXXPBBQEXIVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-5-8(3,11)6(2)7(9)10/h6,11H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 3-hydroxy-2,3-dimethylhexanoic acid?
3-hydroxy-2,3-dimethylhexanoic acid has a molecular weight of 160.21 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,3-dimethylhexanoic acid is sourced from PubChem (CID 14452464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).