5-hydroxy-2,3-dimethylpentanoic acid

C7H14O3 — CID 87486798

IUPAC5-hydroxy-2,3-dimethylpentanoic acid
SMILESCC(CCO)C(C)C(=O)O
InChIInChI=1S/C7H14O3/c1-5(3-4-8)6(2)7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyRMCSELPCFZXZMG-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.73
Rot. Bonds4

About 5-hydroxy-2,3-dimethylpentanoic acid

5-hydroxy-2,3-dimethylpentanoic acid (PubChem CID 87486798) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 5-hydroxy-2,3-dimethylpentanoic acid.

Molecular Properties

Compound Name5-hydroxy-2,3-dimethylpentanoic acid
PubChem CID87486798
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name5-hydroxy-2,3-dimethylpentanoic acid
SMILESCC(CCO)C(C)C(=O)O
InChIInChI=1S/C7H14O3/c1-5(3-4-8)6(2)7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyRMCSELPCFZXZMG-UHFFFAOYSA-N
XLogP0.73
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,3-dimethylpentanoic acid?
The IUPAC name of 5-hydroxy-2,3-dimethylpentanoic acid (CID 87486798) is 5-hydroxy-2,3-dimethylpentanoic acid.
What is the SMILES notation for 5-hydroxy-2,3-dimethylpentanoic acid?
The canonical SMILES for 5-hydroxy-2,3-dimethylpentanoic acid is CC(CCO)C(C)C(=O)O.
What is the InChIKey of 5-hydroxy-2,3-dimethylpentanoic acid?
The InChIKey is RMCSELPCFZXZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-5(3-4-8)6(2)7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 5-hydroxy-2,3-dimethylpentanoic acid?
5-hydroxy-2,3-dimethylpentanoic acid has a molecular weight of 146.19 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,3-dimethylpentanoic acid is sourced from PubChem (CID 87486798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).