(2-ethyl-4-oxopyran-3-yl) 2-methylpropanoate

C11H14O4 — CID 71587819

IUPAC(2-ethyl-4-oxopyran-3-yl) 2-methylpropanoate
SMILESCCc1occc(=O)c1OC(=O)C(C)C
InChIInChI=1S/C11H14O4/c1-4-9-10(8(12)5-6-14-9)15-11(13)7(2)3/h5-7H,4H2,1-3H3
InChIKeyAQLJHZDIKBDZFS-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.76
Rot. Bonds3

About (2-ethyl-4-oxopyran-3-yl) 2-methylpropanoate

(2-ethyl-4-oxopyran-3-yl) 2-methylpropanoate (PubChem CID 71587819) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is (2-ethyl-4-oxopyran-3-yl) 2-methylpropanoate.

Molecular Properties

Compound Name(2-ethyl-4-oxopyran-3-yl) 2-methylpropanoate
PubChem CID71587819
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(2-ethyl-4-oxopyran-3-yl) 2-methylpropanoate
SMILESCCc1occc(=O)c1OC(=O)C(C)C
InChIInChI=1S/C11H14O4/c1-4-9-10(8(12)5-6-14-9)15-11(13)7(2)3/h5-7H,4H2,1-3H3
InChIKeyAQLJHZDIKBDZFS-UHFFFAOYSA-N
XLogP1.76
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-oxopyran-3-yl) 2-methylpropanoate?
The IUPAC name of (2-ethyl-4-oxopyran-3-yl) 2-methylpropanoate (CID 71587819) is (2-ethyl-4-oxopyran-3-yl) 2-methylpropanoate.
What is the SMILES notation for (2-ethyl-4-oxopyran-3-yl) 2-methylpropanoate?
The canonical SMILES for (2-ethyl-4-oxopyran-3-yl) 2-methylpropanoate is CCc1occc(=O)c1OC(=O)C(C)C.
What is the InChIKey of (2-ethyl-4-oxopyran-3-yl) 2-methylpropanoate?
The InChIKey is AQLJHZDIKBDZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-4-9-10(8(12)5-6-14-9)15-11(13)7(2)3/h5-7H,4H2,1-3H3.
What are the key properties of (2-ethyl-4-oxopyran-3-yl) 2-methylpropanoate?
(2-ethyl-4-oxopyran-3-yl) 2-methylpropanoate has a molecular weight of 210.23 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-oxopyran-3-yl) 2-methylpropanoate is sourced from PubChem (CID 71587819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).