ethyl 2-hydroxy-2-methoxyacetate

C5H10O4 — CID 10975525

IUPACethyl 2-hydroxy-2-methoxyacetate
SMILESCCOC(=O)C(O)OC
InChIInChI=1S/C5H10O4/c1-3-9-5(7)4(6)8-2/h4,6H,3H2,1-2H3
InChIKeyFLOPLDYVZFMHEZ-UHFFFAOYSA-N
MW134.13 g/mol
LogP-0.49
Rot. Bonds3

About ethyl 2-hydroxy-2-methoxyacetate

ethyl 2-hydroxy-2-methoxyacetate (PubChem CID 10975525) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-methoxyacetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-methoxyacetate
PubChem CID10975525
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Nameethyl 2-hydroxy-2-methoxyacetate
SMILESCCOC(=O)C(O)OC
InChIInChI=1S/C5H10O4/c1-3-9-5(7)4(6)8-2/h4,6H,3H2,1-2H3
InChIKeyFLOPLDYVZFMHEZ-UHFFFAOYSA-N
XLogP-0.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-methoxyacetate?
The IUPAC name of ethyl 2-hydroxy-2-methoxyacetate (CID 10975525) is ethyl 2-hydroxy-2-methoxyacetate.
What is the SMILES notation for ethyl 2-hydroxy-2-methoxyacetate?
The canonical SMILES for ethyl 2-hydroxy-2-methoxyacetate is CCOC(=O)C(O)OC.
What is the InChIKey of ethyl 2-hydroxy-2-methoxyacetate?
The InChIKey is FLOPLDYVZFMHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4/c1-3-9-5(7)4(6)8-2/h4,6H,3H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-methoxyacetate?
ethyl 2-hydroxy-2-methoxyacetate has a molecular weight of 134.13 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-methoxyacetate is sourced from PubChem (CID 10975525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).