ethyl 3-hydroxy-2-methylbutanoate

C7H14O3 — CID 656467

IUPACethyl 3-hydroxy-2-methylbutanoate
SMILESCCOC(=O)C(C)C(C)O
InChIInChI=1S/C7H14O3/c1-4-10-7(9)5(2)6(3)8/h5-6,8H,4H2,1-3H3
InChIKeyBZFWGBFTIQSEBN-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.57
Rot. Bonds3

About ethyl 3-hydroxy-2-methylbutanoate

ethyl 3-hydroxy-2-methylbutanoate (PubChem CID 656467) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is ethyl 3-hydroxy-2-methylbutanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-2-methylbutanoate
PubChem CID656467
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Nameethyl 3-hydroxy-2-methylbutanoate
SMILESCCOC(=O)C(C)C(C)O
InChIInChI=1S/C7H14O3/c1-4-10-7(9)5(2)6(3)8/h5-6,8H,4H2,1-3H3
InChIKeyBZFWGBFTIQSEBN-UHFFFAOYSA-N
XLogP0.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-2-methylbutanoate?
The IUPAC name of ethyl 3-hydroxy-2-methylbutanoate (CID 656467) is ethyl 3-hydroxy-2-methylbutanoate.
What is the SMILES notation for ethyl 3-hydroxy-2-methylbutanoate?
The canonical SMILES for ethyl 3-hydroxy-2-methylbutanoate is CCOC(=O)C(C)C(C)O.
What is the InChIKey of ethyl 3-hydroxy-2-methylbutanoate?
The InChIKey is BZFWGBFTIQSEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-4-10-7(9)5(2)6(3)8/h5-6,8H,4H2,1-3H3.
What are the key properties of ethyl 3-hydroxy-2-methylbutanoate?
ethyl 3-hydroxy-2-methylbutanoate has a molecular weight of 146.19 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-2-methylbutanoate is sourced from PubChem (CID 656467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).