(6-ethyl-3-methyl-2-oxopyran-4-yl) acetate

C10H12O4 — CID 86101476

IUPAC(6-ethyl-3-methyl-2-oxopyran-4-yl) acetate
SMILESCCc1cc(OC(C)=O)c(C)c(=O)o1
InChIInChI=1S/C10H12O4/c1-4-8-5-9(13-7(3)11)6(2)10(12)14-8/h5H,4H2,1-3H3
InChIKeyDUYFNEHUNACEEF-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.44
Rot. Bonds2

About (6-ethyl-3-methyl-2-oxopyran-4-yl) acetate

(6-ethyl-3-methyl-2-oxopyran-4-yl) acetate (PubChem CID 86101476) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (6-ethyl-3-methyl-2-oxopyran-4-yl) acetate.

Molecular Properties

Compound Name(6-ethyl-3-methyl-2-oxopyran-4-yl) acetate
PubChem CID86101476
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(6-ethyl-3-methyl-2-oxopyran-4-yl) acetate
SMILESCCc1cc(OC(C)=O)c(C)c(=O)o1
InChIInChI=1S/C10H12O4/c1-4-8-5-9(13-7(3)11)6(2)10(12)14-8/h5H,4H2,1-3H3
InChIKeyDUYFNEHUNACEEF-UHFFFAOYSA-N
XLogP1.44
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-ethyl-3-methyl-2-oxopyran-4-yl) acetate?
The IUPAC name of (6-ethyl-3-methyl-2-oxopyran-4-yl) acetate (CID 86101476) is (6-ethyl-3-methyl-2-oxopyran-4-yl) acetate.
What is the SMILES notation for (6-ethyl-3-methyl-2-oxopyran-4-yl) acetate?
The canonical SMILES for (6-ethyl-3-methyl-2-oxopyran-4-yl) acetate is CCc1cc(OC(C)=O)c(C)c(=O)o1.
What is the InChIKey of (6-ethyl-3-methyl-2-oxopyran-4-yl) acetate?
The InChIKey is DUYFNEHUNACEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-4-8-5-9(13-7(3)11)6(2)10(12)14-8/h5H,4H2,1-3H3.
What are the key properties of (6-ethyl-3-methyl-2-oxopyran-4-yl) acetate?
(6-ethyl-3-methyl-2-oxopyran-4-yl) acetate has a molecular weight of 196.20 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-3-methyl-2-oxopyran-4-yl) acetate is sourced from PubChem (CID 86101476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).