3-(2-ethoxyacetyl)-4-hydroxy-6-methylpyran-2-one

C10H12O5 — CID 153315842

IUPAC3-(2-ethoxyacetyl)-4-hydroxy-6-methylpyran-2-one
SMILESCCOCC(=O)c1c(O)cc(C)oc1=O
InChIInChI=1S/C10H12O5/c1-3-14-5-8(12)9-7(11)4-6(2)15-10(9)13/h4,11H,3,5H2,1-2H3
InChIKeyFAYWZMYKWKQXHV-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.87
Rot. Bonds4

About 3-(2-ethoxyacetyl)-4-hydroxy-6-methylpyran-2-one

3-(2-ethoxyacetyl)-4-hydroxy-6-methylpyran-2-one (PubChem CID 153315842) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 3-(2-ethoxyacetyl)-4-hydroxy-6-methylpyran-2-one.

Molecular Properties

Compound Name3-(2-ethoxyacetyl)-4-hydroxy-6-methylpyran-2-one
PubChem CID153315842
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name3-(2-ethoxyacetyl)-4-hydroxy-6-methylpyran-2-one
SMILESCCOCC(=O)c1c(O)cc(C)oc1=O
InChIInChI=1S/C10H12O5/c1-3-14-5-8(12)9-7(11)4-6(2)15-10(9)13/h4,11H,3,5H2,1-2H3
InChIKeyFAYWZMYKWKQXHV-UHFFFAOYSA-N
XLogP0.87
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one
CID 54678494
Diethyl 2-[(5-methoxy-4-oxopyran-2-yl)methylidene]propanedioate
CID 1811924
(E)-3-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dienyl)-2-methoxyethylpropenoic acid
CID 25235422
Dimethyl 3,4-dihydroxy-7-(methoxymethyl)-5-oxocyclohepta-1,3,6-triene-1,2-dicarboxylate
CID 102311071
3-(4-Methoxy-6-oxopyran-2-yl)-2-oxopropanoic acid
CID 299996
Fusarpyrone B
CID 102442335
3-(3-acetyl-4-hydroxy-2-oxo-2H-pyran-6-yl)propanoic acid
CID 57339198
Arthone D
CID 146684179
ethyl (5Z)-5-[(E)-but-2-enylidene]-2-methyl-4-oxofuran-3-carboxylate
CID 5950836
3-[(4-Hydroxy-6-methyl-2-oxopyran-3-yl)methylene]-6-methylpyran-2,4-dione
CID 54703380
Diethyl 6-methoxy-7-oxocyclohepta-1,3,5-triene-1,3-dicarboxylate
CID 15642657
Ethyl 2-hydroxy-4-(4-hydroxy-6-methyl2h-pyran-2-on-3-yl)-4-oxo-2-butenoate
CID 129777126

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyacetyl)-4-hydroxy-6-methylpyran-2-one?
The IUPAC name of 3-(2-ethoxyacetyl)-4-hydroxy-6-methylpyran-2-one (CID 153315842) is 3-(2-ethoxyacetyl)-4-hydroxy-6-methylpyran-2-one.
What is the SMILES notation for 3-(2-ethoxyacetyl)-4-hydroxy-6-methylpyran-2-one?
The canonical SMILES for 3-(2-ethoxyacetyl)-4-hydroxy-6-methylpyran-2-one is CCOCC(=O)c1c(O)cc(C)oc1=O.
What is the InChIKey of 3-(2-ethoxyacetyl)-4-hydroxy-6-methylpyran-2-one?
The InChIKey is FAYWZMYKWKQXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-3-14-5-8(12)9-7(11)4-6(2)15-10(9)13/h4,11H,3,5H2,1-2H3.
What are the key properties of 3-(2-ethoxyacetyl)-4-hydroxy-6-methylpyran-2-one?
3-(2-ethoxyacetyl)-4-hydroxy-6-methylpyran-2-one has a molecular weight of 212.20 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyacetyl)-4-hydroxy-6-methylpyran-2-one is sourced from PubChem (CID 153315842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).