4-methoxy-5-methyl-6-pentan-2-ylpyran-2-one

C12H18O3 — CID 11183425

IUPAC4-methoxy-5-methyl-6-pentan-2-ylpyran-2-one
SMILESCCCC(C)c1oc(=O)cc(OC)c1C
InChIInChI=1S/C12H18O3/c1-5-6-8(2)12-9(3)10(14-4)7-11(13)15-12/h7-8H,5-6H2,1-4H3
InChIKeyDCIVCXJJSXPMID-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.86
Rot. Bonds4

About 4-methoxy-5-methyl-6-pentan-2-ylpyran-2-one

4-methoxy-5-methyl-6-pentan-2-ylpyran-2-one (PubChem CID 11183425) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 4-methoxy-5-methyl-6-pentan-2-ylpyran-2-one.

Molecular Properties

Compound Name4-methoxy-5-methyl-6-pentan-2-ylpyran-2-one
PubChem CID11183425
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name4-methoxy-5-methyl-6-pentan-2-ylpyran-2-one
SMILESCCCC(C)c1oc(=O)cc(OC)c1C
InChIInChI=1S/C12H18O3/c1-5-6-8(2)12-9(3)10(14-4)7-11(13)15-12/h7-8H,5-6H2,1-4H3
InChIKeyDCIVCXJJSXPMID-UHFFFAOYSA-N
XLogP2.86
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-6-pentan-2-ylpyran-2-one?
The IUPAC name of 4-methoxy-5-methyl-6-pentan-2-ylpyran-2-one (CID 11183425) is 4-methoxy-5-methyl-6-pentan-2-ylpyran-2-one.
What is the SMILES notation for 4-methoxy-5-methyl-6-pentan-2-ylpyran-2-one?
The canonical SMILES for 4-methoxy-5-methyl-6-pentan-2-ylpyran-2-one is CCCC(C)c1oc(=O)cc(OC)c1C.
What is the InChIKey of 4-methoxy-5-methyl-6-pentan-2-ylpyran-2-one?
The InChIKey is DCIVCXJJSXPMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-5-6-8(2)12-9(3)10(14-4)7-11(13)15-12/h7-8H,5-6H2,1-4H3.
What are the key properties of 4-methoxy-5-methyl-6-pentan-2-ylpyran-2-one?
4-methoxy-5-methyl-6-pentan-2-ylpyran-2-one has a molecular weight of 210.27 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-6-pentan-2-ylpyran-2-one is sourced from PubChem (CID 11183425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).