ethyl 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetate

C10H12O6 — CID 20544482

IUPACethyl 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetate
SMILESCCOC(=O)COc1coc(CO)cc1=O
InChIInChI=1S/C10H12O6/c1-2-14-10(13)6-16-9-5-15-7(4-11)3-8(9)12/h3,5,11H,2,4,6H2,1H3
InChIKeyUZDXBJWFLNNERF-UHFFFAOYSA-N
MW228.20 g/mol
LogP0.07
Rot. Bonds5

About ethyl 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetate

ethyl 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetate (PubChem CID 20544482) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is ethyl 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetate
PubChem CID20544482
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Nameethyl 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetate
SMILESCCOC(=O)COc1coc(CO)cc1=O
InChIInChI=1S/C10H12O6/c1-2-14-10(13)6-16-9-5-15-7(4-11)3-8(9)12/h3,5,11H,2,4,6H2,1H3
InChIKeyUZDXBJWFLNNERF-UHFFFAOYSA-N
XLogP0.07
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetate?
The IUPAC name of ethyl 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetate (CID 20544482) is ethyl 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetate?
The canonical SMILES for ethyl 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetate is CCOC(=O)COc1coc(CO)cc1=O.
What is the InChIKey of ethyl 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetate?
The InChIKey is UZDXBJWFLNNERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O6/c1-2-14-10(13)6-16-9-5-15-7(4-11)3-8(9)12/h3,5,11H,2,4,6H2,1H3.
What are the key properties of ethyl 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetate?
ethyl 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetate has a molecular weight of 228.20 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetate is sourced from PubChem (CID 20544482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).