3-hydroxy-2,2-dimethyl-5-methylsulfanylpentanoic acid

C8H16O3S — CID 62398881

IUPAC3-hydroxy-2,2-dimethyl-5-methylsulfanylpentanoic acid
SMILESCSCCC(O)C(C)(C)C(=O)O
InChIInChI=1S/C8H16O3S/c1-8(2,7(10)11)6(9)4-5-12-3/h6,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyXUQBKBYAUFZXGL-UHFFFAOYSA-N
MW192.28 g/mol
LogP1.21
Rot. Bonds5

About 3-hydroxy-2,2-dimethyl-5-methylsulfanylpentanoic acid

3-hydroxy-2,2-dimethyl-5-methylsulfanylpentanoic acid (PubChem CID 62398881) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethyl-5-methylsulfanylpentanoic acid.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethyl-5-methylsulfanylpentanoic acid
PubChem CID62398881
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name3-hydroxy-2,2-dimethyl-5-methylsulfanylpentanoic acid
SMILESCSCCC(O)C(C)(C)C(=O)O
InChIInChI=1S/C8H16O3S/c1-8(2,7(10)11)6(9)4-5-12-3/h6,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyXUQBKBYAUFZXGL-UHFFFAOYSA-N
XLogP1.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-2,2-dimethyl-5-methylsulfanylpentanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethyl-5-methylsulfanylpentanoic acid?
The IUPAC name of 3-hydroxy-2,2-dimethyl-5-methylsulfanylpentanoic acid (CID 62398881) is 3-hydroxy-2,2-dimethyl-5-methylsulfanylpentanoic acid.
What is the SMILES notation for 3-hydroxy-2,2-dimethyl-5-methylsulfanylpentanoic acid?
The canonical SMILES for 3-hydroxy-2,2-dimethyl-5-methylsulfanylpentanoic acid is CSCCC(O)C(C)(C)C(=O)O.
What is the InChIKey of 3-hydroxy-2,2-dimethyl-5-methylsulfanylpentanoic acid?
The InChIKey is XUQBKBYAUFZXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-8(2,7(10)11)6(9)4-5-12-3/h6,9H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 3-hydroxy-2,2-dimethyl-5-methylsulfanylpentanoic acid?
3-hydroxy-2,2-dimethyl-5-methylsulfanylpentanoic acid has a molecular weight of 192.28 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2-dimethyl-5-methylsulfanylpentanoic acid is sourced from PubChem (CID 62398881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).