3-ethyl-4-hydroxy-6-propylpyran-2-one

C10H14O3 — CID 71425313

IUPAC3-ethyl-4-hydroxy-6-propylpyran-2-one
SMILESCCCc1cc(O)c(CC)c(=O)o1
InChIInChI=1S/C10H14O3/c1-3-5-7-6-9(11)8(4-2)10(12)13-7/h6,11H,3-5H2,1-2H3
InChIKeyOPGJUHCSQWTULM-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.86
Rot. Bonds3

About 3-ethyl-4-hydroxy-6-propylpyran-2-one

3-ethyl-4-hydroxy-6-propylpyran-2-one (PubChem CID 71425313) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-ethyl-4-hydroxy-6-propylpyran-2-one.

Molecular Properties

Compound Name3-ethyl-4-hydroxy-6-propylpyran-2-one
PubChem CID71425313
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name3-ethyl-4-hydroxy-6-propylpyran-2-one
SMILESCCCc1cc(O)c(CC)c(=O)o1
InChIInChI=1S/C10H14O3/c1-3-5-7-6-9(11)8(4-2)10(12)13-7/h6,11H,3-5H2,1-2H3
InChIKeyOPGJUHCSQWTULM-UHFFFAOYSA-N
XLogP1.86
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hydroxy-6-propylpyran-2-one?
The IUPAC name of 3-ethyl-4-hydroxy-6-propylpyran-2-one (CID 71425313) is 3-ethyl-4-hydroxy-6-propylpyran-2-one.
What is the SMILES notation for 3-ethyl-4-hydroxy-6-propylpyran-2-one?
The canonical SMILES for 3-ethyl-4-hydroxy-6-propylpyran-2-one is CCCc1cc(O)c(CC)c(=O)o1.
What is the InChIKey of 3-ethyl-4-hydroxy-6-propylpyran-2-one?
The InChIKey is OPGJUHCSQWTULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-5-7-6-9(11)8(4-2)10(12)13-7/h6,11H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-4-hydroxy-6-propylpyran-2-one?
3-ethyl-4-hydroxy-6-propylpyran-2-one has a molecular weight of 182.22 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxy-6-propylpyran-2-one is sourced from PubChem (CID 71425313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).