2-ethyl-6-methoxy-3,5-dimethylpyran-4-one

C10H14O3 — CID 11816237

IUPAC2-ethyl-6-methoxy-3,5-dimethylpyran-4-one
SMILESCCc1oc(OC)c(C)c(=O)c1C
InChIInChI=1S/C10H14O3/c1-5-8-6(2)9(11)7(3)10(12-4)13-8/h5H2,1-4H3
InChIKeyDRDLEVTWYROROL-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.83
Rot. Bonds2

About 2-ethyl-6-methoxy-3,5-dimethylpyran-4-one

2-ethyl-6-methoxy-3,5-dimethylpyran-4-one (PubChem CID 11816237) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-3,5-dimethylpyran-4-one.

Molecular Properties

Compound Name2-ethyl-6-methoxy-3,5-dimethylpyran-4-one
PubChem CID11816237
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-ethyl-6-methoxy-3,5-dimethylpyran-4-one
SMILESCCc1oc(OC)c(C)c(=O)c1C
InChIInChI=1S/C10H14O3/c1-5-8-6(2)9(11)7(3)10(12-4)13-8/h5H2,1-4H3
InChIKeyDRDLEVTWYROROL-UHFFFAOYSA-N
XLogP1.83
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Acrepyrone A
CID 170988556
4H-Pyran-4-one, 2-methoxy-3,5,6-trimethyl-
CID 11845201
2-Acetyl-6-methoxy-3,5-dimethylpyran-4-one
CID 11367588
6-Methoxy-3,5-dimethyl-4-oxopyran-2-carbaldehyde
CID 10932053
3-Bromo-2-methoxy-5,6-dimethylpyran-4-one
CID 11195652
2,6-Dimethoxy-3,5-dimethyl-4H-pyran-4-one
CID 12175697
2,3,5,6-Tetramethylpyran-4-one
CID 11804961
2-(Chloromethyl)-6-methoxy-3,5-dimethylpyran-4-one
CID 102384620
2-But-3-en-2-yl-6-methoxy-3,5-dimethylpyran-4-one
CID 178324081
2-(6-Methoxy-3,5-dimethyl-4-oxopyran-2-yl)propanal
CID 178324082
InChI=1/C9H10O4/c1-5(10)9-6(2)13-8(12-3)4-7(9)11/h4H,1-3H
CID 13942353
CID 58983000
CID 58983000

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxy-3,5-dimethylpyran-4-one?
The IUPAC name of 2-ethyl-6-methoxy-3,5-dimethylpyran-4-one (CID 11816237) is 2-ethyl-6-methoxy-3,5-dimethylpyran-4-one.
What is the SMILES notation for 2-ethyl-6-methoxy-3,5-dimethylpyran-4-one?
The canonical SMILES for 2-ethyl-6-methoxy-3,5-dimethylpyran-4-one is CCc1oc(OC)c(C)c(=O)c1C.
What is the InChIKey of 2-ethyl-6-methoxy-3,5-dimethylpyran-4-one?
The InChIKey is DRDLEVTWYROROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-5-8-6(2)9(11)7(3)10(12-4)13-8/h5H2,1-4H3.
What are the key properties of 2-ethyl-6-methoxy-3,5-dimethylpyran-4-one?
2-ethyl-6-methoxy-3,5-dimethylpyran-4-one has a molecular weight of 182.22 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxy-3,5-dimethylpyran-4-one is sourced from PubChem (CID 11816237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).