2-ethyl-3-hydroxy-3,4-dimethylpentanoic acid

C9H18O3 — CID 62487077

IUPAC2-ethyl-3-hydroxy-3,4-dimethylpentanoic acid
SMILESCCC(C(=O)O)C(C)(O)C(C)C
InChIInChI=1S/C9H18O3/c1-5-7(8(10)11)9(4,12)6(2)3/h6-7,12H,5H2,1-4H3,(H,10,11)
InChIKeyVUUYPDUXCQBLMY-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.50
Rot. Bonds4

About 2-ethyl-3-hydroxy-3,4-dimethylpentanoic acid

2-ethyl-3-hydroxy-3,4-dimethylpentanoic acid (PubChem CID 62487077) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-ethyl-3-hydroxy-3,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-ethyl-3-hydroxy-3,4-dimethylpentanoic acid
PubChem CID62487077
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-ethyl-3-hydroxy-3,4-dimethylpentanoic acid
SMILESCCC(C(=O)O)C(C)(O)C(C)C
InChIInChI=1S/C9H18O3/c1-5-7(8(10)11)9(4,12)6(2)3/h6-7,12H,5H2,1-4H3,(H,10,11)
InChIKeyVUUYPDUXCQBLMY-UHFFFAOYSA-N
XLogP1.50
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxy-3,4-dimethylpentanoic acid?
The IUPAC name of 2-ethyl-3-hydroxy-3,4-dimethylpentanoic acid (CID 62487077) is 2-ethyl-3-hydroxy-3,4-dimethylpentanoic acid.
What is the SMILES notation for 2-ethyl-3-hydroxy-3,4-dimethylpentanoic acid?
The canonical SMILES for 2-ethyl-3-hydroxy-3,4-dimethylpentanoic acid is CCC(C(=O)O)C(C)(O)C(C)C.
What is the InChIKey of 2-ethyl-3-hydroxy-3,4-dimethylpentanoic acid?
The InChIKey is VUUYPDUXCQBLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-5-7(8(10)11)9(4,12)6(2)3/h6-7,12H,5H2,1-4H3,(H,10,11).
What are the key properties of 2-ethyl-3-hydroxy-3,4-dimethylpentanoic acid?
2-ethyl-3-hydroxy-3,4-dimethylpentanoic acid has a molecular weight of 174.24 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxy-3,4-dimethylpentanoic acid is sourced from PubChem (CID 62487077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).