methyl 2-hydroxy-3-methoxy-2-methylpropanoate

C6H12O4 — CID 54595579

IUPACmethyl 2-hydroxy-3-methoxy-2-methylpropanoate
SMILESCOCC(C)(O)C(=O)OC
InChIInChI=1S/C6H12O4/c1-6(8,4-9-2)5(7)10-3/h8H,4H2,1-3H3
InChIKeyVOTPXWASQHYOEG-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.44
Rot. Bonds3

About methyl 2-hydroxy-3-methoxy-2-methylpropanoate

methyl 2-hydroxy-3-methoxy-2-methylpropanoate (PubChem CID 54595579) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is methyl 2-hydroxy-3-methoxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-methoxy-2-methylpropanoate
PubChem CID54595579
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Namemethyl 2-hydroxy-3-methoxy-2-methylpropanoate
SMILESCOCC(C)(O)C(=O)OC
InChIInChI=1S/C6H12O4/c1-6(8,4-9-2)5(7)10-3/h8H,4H2,1-3H3
InChIKeyVOTPXWASQHYOEG-UHFFFAOYSA-N
XLogP-0.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-hydroxy-3-methoxy-2-methylpropanoate 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 methyl 2-hydroxy-3-methoxy-2-methylpropanoate?
The IUPAC name of methyl 2-hydroxy-3-methoxy-2-methylpropanoate (CID 54595579) is methyl 2-hydroxy-3-methoxy-2-methylpropanoate.
What is the SMILES notation for methyl 2-hydroxy-3-methoxy-2-methylpropanoate?
The canonical SMILES for methyl 2-hydroxy-3-methoxy-2-methylpropanoate is COCC(C)(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-3-methoxy-2-methylpropanoate?
The InChIKey is VOTPXWASQHYOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4/c1-6(8,4-9-2)5(7)10-3/h8H,4H2,1-3H3.
What are the key properties of methyl 2-hydroxy-3-methoxy-2-methylpropanoate?
methyl 2-hydroxy-3-methoxy-2-methylpropanoate has a molecular weight of 148.16 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-methoxy-2-methylpropanoate is sourced from PubChem (CID 54595579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).