ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate

C11H16O5 — CID 70386320

IUPACethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate
SMILESCCOC(=O)CC1(CC)OC(O)C=CC1=O
InChIInChI=1S/C11H16O5/c1-3-11(7-10(14)15-4-2)8(12)5-6-9(13)16-11/h5-6,9,13H,3-4,7H2,1-2H3
InChIKeyGKCIQISRECPRRA-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.56
Rot. Bonds4

About ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate

ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate (PubChem CID 70386320) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate
PubChem CID70386320
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Nameethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate
SMILESCCOC(=O)CC1(CC)OC(O)C=CC1=O
InChIInChI=1S/C11H16O5/c1-3-11(7-10(14)15-4-2)8(12)5-6-9(13)16-11/h5-6,9,13H,3-4,7H2,1-2H3
InChIKeyGKCIQISRECPRRA-UHFFFAOYSA-N
XLogP0.56
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate?
The IUPAC name of ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate (CID 70386320) is ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate.
What is the SMILES notation for ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate?
The canonical SMILES for ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate is CCOC(=O)CC1(CC)OC(O)C=CC1=O.
What is the InChIKey of ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate?
The InChIKey is GKCIQISRECPRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-3-11(7-10(14)15-4-2)8(12)5-6-9(13)16-11/h5-6,9,13H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate?
ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate has a molecular weight of 228.24 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate is sourced from PubChem (CID 70386320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).