6-(ethoxymethyl)-3-hydroxy-4-oxopyran-2-carboxylic acid

C9H10O6 — CID 3010946

IUPAC6-(ethoxymethyl)-3-hydroxy-4-oxopyran-2-carboxylic acid
SMILESCCOCc1cc(=O)c(O)c(C(=O)O)o1
InChIInChI=1S/C9H10O6/c1-2-14-4-5-3-6(10)7(11)8(15-5)9(12)13/h3,11H,2,4H2,1H3,(H,12,13)
InChIKeyBYYSOMNIVKVLDR-UHFFFAOYSA-N
MW214.17 g/mol
LogP0.58
Rot. Bonds4

About 6-(ethoxymethyl)-3-hydroxy-4-oxopyran-2-carboxylic acid

6-(ethoxymethyl)-3-hydroxy-4-oxopyran-2-carboxylic acid (PubChem CID 3010946) has the molecular formula C9H10O6 and a molecular weight of 214.17 g/mol. Its IUPAC name is 6-(ethoxymethyl)-3-hydroxy-4-oxopyran-2-carboxylic acid.

Molecular Properties

Compound Name6-(ethoxymethyl)-3-hydroxy-4-oxopyran-2-carboxylic acid
PubChem CID3010946
Molecular FormulaC9H10O6
Molecular Weight214.17 g/mol
Exact Mass214.05
IUPAC Name6-(ethoxymethyl)-3-hydroxy-4-oxopyran-2-carboxylic acid
SMILESCCOCc1cc(=O)c(O)c(C(=O)O)o1
InChIInChI=1S/C9H10O6/c1-2-14-4-5-3-6(10)7(11)8(15-5)9(12)13/h3,11H,2,4H2,1H3,(H,12,13)
InChIKeyBYYSOMNIVKVLDR-UHFFFAOYSA-N
XLogP0.58
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(ethoxymethyl)-3-hydroxy-4-oxopyran-2-carboxylic acid?
The IUPAC name of 6-(ethoxymethyl)-3-hydroxy-4-oxopyran-2-carboxylic acid (CID 3010946) is 6-(ethoxymethyl)-3-hydroxy-4-oxopyran-2-carboxylic acid.
What is the SMILES notation for 6-(ethoxymethyl)-3-hydroxy-4-oxopyran-2-carboxylic acid?
The canonical SMILES for 6-(ethoxymethyl)-3-hydroxy-4-oxopyran-2-carboxylic acid is CCOCc1cc(=O)c(O)c(C(=O)O)o1.
What is the InChIKey of 6-(ethoxymethyl)-3-hydroxy-4-oxopyran-2-carboxylic acid?
The InChIKey is BYYSOMNIVKVLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O6/c1-2-14-4-5-3-6(10)7(11)8(15-5)9(12)13/h3,11H,2,4H2,1H3,(H,12,13).
What are the key properties of 6-(ethoxymethyl)-3-hydroxy-4-oxopyran-2-carboxylic acid?
6-(ethoxymethyl)-3-hydroxy-4-oxopyran-2-carboxylic acid has a molecular weight of 214.17 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethoxymethyl)-3-hydroxy-4-oxopyran-2-carboxylic acid is sourced from PubChem (CID 3010946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).