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

C11H16O3 — CID 134155696

IUPAC6-ethyl-3-(2-hydroxy-2-methylpropyl)pyran-2-one
SMILESCCc1ccc(CC(C)(C)O)c(=O)o1
InChIInChI=1S/C11H16O3/c1-4-9-6-5-8(10(12)14-9)7-11(2,3)13/h5-6,13H,4,7H2,1-3H3
InChIKeyYLTBUTSTBPLRGO-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.52
Rot. Bonds3

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

6-ethyl-3-(2-hydroxy-2-methylpropyl)pyran-2-one (PubChem CID 134155696) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 6-ethyl-3-(2-hydroxy-2-methylpropyl)pyran-2-one.

Molecular Properties

Compound Name6-ethyl-3-(2-hydroxy-2-methylpropyl)pyran-2-one
PubChem CID134155696
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name6-ethyl-3-(2-hydroxy-2-methylpropyl)pyran-2-one
SMILESCCc1ccc(CC(C)(C)O)c(=O)o1
InChIInChI=1S/C11H16O3/c1-4-9-6-5-8(10(12)14-9)7-11(2,3)13/h5-6,13H,4,7H2,1-3H3
InChIKeyYLTBUTSTBPLRGO-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(2-hydroxy-2-methylpropyl)pyran-2-one?
The IUPAC name of 6-ethyl-3-(2-hydroxy-2-methylpropyl)pyran-2-one (CID 134155696) is 6-ethyl-3-(2-hydroxy-2-methylpropyl)pyran-2-one.
What is the SMILES notation for 6-ethyl-3-(2-hydroxy-2-methylpropyl)pyran-2-one?
The canonical SMILES for 6-ethyl-3-(2-hydroxy-2-methylpropyl)pyran-2-one is CCc1ccc(CC(C)(C)O)c(=O)o1.
What is the InChIKey of 6-ethyl-3-(2-hydroxy-2-methylpropyl)pyran-2-one?
The InChIKey is YLTBUTSTBPLRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-4-9-6-5-8(10(12)14-9)7-11(2,3)13/h5-6,13H,4,7H2,1-3H3.
What are the key properties of 6-ethyl-3-(2-hydroxy-2-methylpropyl)pyran-2-one?
6-ethyl-3-(2-hydroxy-2-methylpropyl)pyran-2-one has a molecular weight of 196.25 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(2-hydroxy-2-methylpropyl)pyran-2-one is sourced from PubChem (CID 134155696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).