methyl 2-hydroxy-2-methylbutanoate

C6H12O3 — CID 520593

IUPACmethyl 2-hydroxy-2-methylbutanoate
SMILESCCC(C)(O)C(=O)OC
InChIInChI=1S/C6H12O3/c1-4-6(2,8)5(7)9-3/h8H,4H2,1-3H3
InChIKeyFMXYCZVOMYLMKM-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.32
Rot. Bonds2

About methyl 2-hydroxy-2-methylbutanoate

methyl 2-hydroxy-2-methylbutanoate (PubChem CID 520593) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methylbutanoate
PubChem CID520593
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Namemethyl 2-hydroxy-2-methylbutanoate
SMILESCCC(C)(O)C(=O)OC
InChIInChI=1S/C6H12O3/c1-4-6(2,8)5(7)9-3/h8H,4H2,1-3H3
InChIKeyFMXYCZVOMYLMKM-UHFFFAOYSA-N
XLogP0.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methylbutanoate?
The IUPAC name of methyl 2-hydroxy-2-methylbutanoate (CID 520593) is methyl 2-hydroxy-2-methylbutanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methylbutanoate?
The canonical SMILES for methyl 2-hydroxy-2-methylbutanoate is CCC(C)(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-2-methylbutanoate?
The InChIKey is FMXYCZVOMYLMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-4-6(2,8)5(7)9-3/h8H,4H2,1-3H3.
What are the key properties of methyl 2-hydroxy-2-methylbutanoate?
methyl 2-hydroxy-2-methylbutanoate has a molecular weight of 132.16 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methylbutanoate is sourced from PubChem (CID 520593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).