6-ethyl-6-methylpyran-2,5-dione

C8H10O3 — CID 18365712

IUPAC6-ethyl-6-methylpyran-2,5-dione
SMILESCCC1(C)OC(=O)C=CC1=O
InChIInChI=1S/C8H10O3/c1-3-8(2)6(9)4-5-7(10)11-8/h4-5H,3H2,1-2H3
InChIKeyZGUBVEQKCHNYJR-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.84
Rot. Bonds1

About 6-ethyl-6-methylpyran-2,5-dione

6-ethyl-6-methylpyran-2,5-dione (PubChem CID 18365712) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 6-ethyl-6-methylpyran-2,5-dione.

Molecular Properties

Compound Name6-ethyl-6-methylpyran-2,5-dione
PubChem CID18365712
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name6-ethyl-6-methylpyran-2,5-dione
SMILESCCC1(C)OC(=O)C=CC1=O
InChIInChI=1S/C8H10O3/c1-3-8(2)6(9)4-5-7(10)11-8/h4-5H,3H2,1-2H3
InChIKeyZGUBVEQKCHNYJR-UHFFFAOYSA-N
XLogP0.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-methylpyran-2,5-dione?
The IUPAC name of 6-ethyl-6-methylpyran-2,5-dione (CID 18365712) is 6-ethyl-6-methylpyran-2,5-dione.
What is the SMILES notation for 6-ethyl-6-methylpyran-2,5-dione?
The canonical SMILES for 6-ethyl-6-methylpyran-2,5-dione is CCC1(C)OC(=O)C=CC1=O.
What is the InChIKey of 6-ethyl-6-methylpyran-2,5-dione?
The InChIKey is ZGUBVEQKCHNYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-3-8(2)6(9)4-5-7(10)11-8/h4-5H,3H2,1-2H3.
What are the key properties of 6-ethyl-6-methylpyran-2,5-dione?
6-ethyl-6-methylpyran-2,5-dione has a molecular weight of 154.16 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-methylpyran-2,5-dione is sourced from PubChem (CID 18365712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).