2-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyacetic acid

C8H16O4 — CID 90983707

IUPAC2-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyacetic acid
SMILESCC(C)(O)C(C)(C)OCC(=O)O
InChIInChI=1S/C8H16O4/c1-7(2,11)8(3,4)12-5-6(9)10/h11H,5H2,1-4H3,(H,9,10)
InChIKeyLOLHBJULIITAJB-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.64
Rot. Bonds4

About 2-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyacetic acid

2-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyacetic acid (PubChem CID 90983707) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyacetic acid
PubChem CID90983707
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyacetic acid
SMILESCC(C)(O)C(C)(C)OCC(=O)O
InChIInChI=1S/C8H16O4/c1-7(2,11)8(3,4)12-5-6(9)10/h11H,5H2,1-4H3,(H,9,10)
InChIKeyLOLHBJULIITAJB-UHFFFAOYSA-N
XLogP0.64
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyacetic 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 2-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyacetic acid?
The IUPAC name of 2-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyacetic acid (CID 90983707) is 2-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyacetic acid.
What is the SMILES notation for 2-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyacetic acid?
The canonical SMILES for 2-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyacetic acid is CC(C)(O)C(C)(C)OCC(=O)O.
What is the InChIKey of 2-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyacetic acid?
The InChIKey is LOLHBJULIITAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-7(2,11)8(3,4)12-5-6(9)10/h11H,5H2,1-4H3,(H,9,10).
What are the key properties of 2-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyacetic acid?
2-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyacetic acid has a molecular weight of 176.21 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyacetic acid is sourced from PubChem (CID 90983707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).