6-ethyl-4-hydroxy-3-(2-methylpropyl)pyran-2-one

C11H16O3 — CID 132521547

IUPAC6-ethyl-4-hydroxy-3-(2-methylpropyl)pyran-2-one
SMILESCCc1cc(O)c(CC(C)C)c(=O)o1
InChIInChI=1S/C11H16O3/c1-4-8-6-10(12)9(5-7(2)3)11(13)14-8/h6-7,12H,4-5H2,1-3H3
InChIKeyLLSJXJAHLPCJOQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.11
Rot. Bonds3

About 6-ethyl-4-hydroxy-3-(2-methylpropyl)pyran-2-one

6-ethyl-4-hydroxy-3-(2-methylpropyl)pyran-2-one (PubChem CID 132521547) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 6-ethyl-4-hydroxy-3-(2-methylpropyl)pyran-2-one.

Molecular Properties

Compound Name6-ethyl-4-hydroxy-3-(2-methylpropyl)pyran-2-one
PubChem CID132521547
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name6-ethyl-4-hydroxy-3-(2-methylpropyl)pyran-2-one
SMILESCCc1cc(O)c(CC(C)C)c(=O)o1
InChIInChI=1S/C11H16O3/c1-4-8-6-10(12)9(5-7(2)3)11(13)14-8/h6-7,12H,4-5H2,1-3H3
InChIKeyLLSJXJAHLPCJOQ-UHFFFAOYSA-N
XLogP2.11
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-hydroxy-3-(2-methylpropyl)pyran-2-one?
The IUPAC name of 6-ethyl-4-hydroxy-3-(2-methylpropyl)pyran-2-one (CID 132521547) is 6-ethyl-4-hydroxy-3-(2-methylpropyl)pyran-2-one.
What is the SMILES notation for 6-ethyl-4-hydroxy-3-(2-methylpropyl)pyran-2-one?
The canonical SMILES for 6-ethyl-4-hydroxy-3-(2-methylpropyl)pyran-2-one is CCc1cc(O)c(CC(C)C)c(=O)o1.
What is the InChIKey of 6-ethyl-4-hydroxy-3-(2-methylpropyl)pyran-2-one?
The InChIKey is LLSJXJAHLPCJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-4-8-6-10(12)9(5-7(2)3)11(13)14-8/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 6-ethyl-4-hydroxy-3-(2-methylpropyl)pyran-2-one?
6-ethyl-4-hydroxy-3-(2-methylpropyl)pyran-2-one has a molecular weight of 196.25 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-hydroxy-3-(2-methylpropyl)pyran-2-one is sourced from PubChem (CID 132521547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).