2-methoxy-5,6-dimethyl-3-propylpyran-4-one

C11H16O3 — CID 166979810

IUPAC2-methoxy-5,6-dimethyl-3-propylpyran-4-one
SMILESCCCc1c(OC)oc(C)c(C)c1=O
InChIInChI=1S/C11H16O3/c1-5-6-9-10(12)7(2)8(3)14-11(9)13-4/h5-6H2,1-4H3
InChIKeySKQVKSRIFHGLAI-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.22
Rot. Bonds3

About 2-methoxy-5,6-dimethyl-3-propylpyran-4-one

2-methoxy-5,6-dimethyl-3-propylpyran-4-one (PubChem CID 166979810) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-methoxy-5,6-dimethyl-3-propylpyran-4-one.

Molecular Properties

Compound Name2-methoxy-5,6-dimethyl-3-propylpyran-4-one
PubChem CID166979810
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-methoxy-5,6-dimethyl-3-propylpyran-4-one
SMILESCCCc1c(OC)oc(C)c(C)c1=O
InChIInChI=1S/C11H16O3/c1-5-6-9-10(12)7(2)8(3)14-11(9)13-4/h5-6H2,1-4H3
InChIKeySKQVKSRIFHGLAI-UHFFFAOYSA-N
XLogP2.22
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5,6-dimethyl-3-propylpyran-4-one?
The IUPAC name of 2-methoxy-5,6-dimethyl-3-propylpyran-4-one (CID 166979810) is 2-methoxy-5,6-dimethyl-3-propylpyran-4-one.
What is the SMILES notation for 2-methoxy-5,6-dimethyl-3-propylpyran-4-one?
The canonical SMILES for 2-methoxy-5,6-dimethyl-3-propylpyran-4-one is CCCc1c(OC)oc(C)c(C)c1=O.
What is the InChIKey of 2-methoxy-5,6-dimethyl-3-propylpyran-4-one?
The InChIKey is SKQVKSRIFHGLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-5-6-9-10(12)7(2)8(3)14-11(9)13-4/h5-6H2,1-4H3.
What are the key properties of 2-methoxy-5,6-dimethyl-3-propylpyran-4-one?
2-methoxy-5,6-dimethyl-3-propylpyran-4-one has a molecular weight of 196.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5,6-dimethyl-3-propylpyran-4-one is sourced from PubChem (CID 166979810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).