4-ethyl-5,6-dimethylpyran-2-one

C9H12O2 — CID 13113943

IUPAC4-ethyl-5,6-dimethylpyran-2-one
SMILESCCc1cc(=O)oc(C)c1C
InChIInChI=1S/C9H12O2/c1-4-8-5-9(10)11-7(3)6(8)2/h5H,4H2,1-3H3
InChIKeyGHNKFHNMNSSHGF-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.82
Rot. Bonds1

About 4-ethyl-5,6-dimethylpyran-2-one

4-ethyl-5,6-dimethylpyran-2-one (PubChem CID 13113943) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 4-ethyl-5,6-dimethylpyran-2-one.

Molecular Properties

Compound Name4-ethyl-5,6-dimethylpyran-2-one
PubChem CID13113943
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name4-ethyl-5,6-dimethylpyran-2-one
SMILESCCc1cc(=O)oc(C)c1C
InChIInChI=1S/C9H12O2/c1-4-8-5-9(10)11-7(3)6(8)2/h5H,4H2,1-3H3
InChIKeyGHNKFHNMNSSHGF-UHFFFAOYSA-N
XLogP1.82
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5,6-dimethylpyran-2-one?
The IUPAC name of 4-ethyl-5,6-dimethylpyran-2-one (CID 13113943) is 4-ethyl-5,6-dimethylpyran-2-one.
What is the SMILES notation for 4-ethyl-5,6-dimethylpyran-2-one?
The canonical SMILES for 4-ethyl-5,6-dimethylpyran-2-one is CCc1cc(=O)oc(C)c1C.
What is the InChIKey of 4-ethyl-5,6-dimethylpyran-2-one?
The InChIKey is GHNKFHNMNSSHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-4-8-5-9(10)11-7(3)6(8)2/h5H,4H2,1-3H3.
What are the key properties of 4-ethyl-5,6-dimethylpyran-2-one?
4-ethyl-5,6-dimethylpyran-2-one has a molecular weight of 152.19 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5,6-dimethylpyran-2-one is sourced from PubChem (CID 13113943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).