ethyl 2-(2-ethoxyoxolan-3-yl)-2-hydroxyacetate

C10H18O5 — CID 59281677

IUPACethyl 2-(2-ethoxyoxolan-3-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)C1CCOC1OCC
InChIInChI=1S/C10H18O5/c1-3-13-9(12)8(11)7-5-6-15-10(7)14-4-2/h7-8,10-11H,3-6H2,1-2H3
InChIKeyVQUMMXXACWNXTH-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.31
Rot. Bonds5

About ethyl 2-(2-ethoxyoxolan-3-yl)-2-hydroxyacetate

ethyl 2-(2-ethoxyoxolan-3-yl)-2-hydroxyacetate (PubChem CID 59281677) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is ethyl 2-(2-ethoxyoxolan-3-yl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxyoxolan-3-yl)-2-hydroxyacetate
PubChem CID59281677
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Nameethyl 2-(2-ethoxyoxolan-3-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)C1CCOC1OCC
InChIInChI=1S/C10H18O5/c1-3-13-9(12)8(11)7-5-6-15-10(7)14-4-2/h7-8,10-11H,3-6H2,1-2H3
InChIKeyVQUMMXXACWNXTH-UHFFFAOYSA-N
XLogP0.31
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxyoxolan-3-yl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(2-ethoxyoxolan-3-yl)-2-hydroxyacetate (CID 59281677) is ethyl 2-(2-ethoxyoxolan-3-yl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(2-ethoxyoxolan-3-yl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(2-ethoxyoxolan-3-yl)-2-hydroxyacetate is CCOC(=O)C(O)C1CCOC1OCC.
What is the InChIKey of ethyl 2-(2-ethoxyoxolan-3-yl)-2-hydroxyacetate?
The InChIKey is VQUMMXXACWNXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-3-13-9(12)8(11)7-5-6-15-10(7)14-4-2/h7-8,10-11H,3-6H2,1-2H3.
What are the key properties of ethyl 2-(2-ethoxyoxolan-3-yl)-2-hydroxyacetate?
ethyl 2-(2-ethoxyoxolan-3-yl)-2-hydroxyacetate has a molecular weight of 218.25 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxyoxolan-3-yl)-2-hydroxyacetate is sourced from PubChem (CID 59281677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).