6-methoxy-2,2,6-trimethylpyran-3-one

C9H14O3 — CID 11008346

IUPAC6-methoxy-2,2,6-trimethylpyran-3-one
SMILESCOC1(C)C=CC(=O)C(C)(C)O1
InChIInChI=1S/C9H14O3/c1-8(2)7(10)5-6-9(3,11-4)12-8/h5-6H,1-4H3
InChIKeyZLPXYFIYVNIETF-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.28
Rot. Bonds1

About 6-methoxy-2,2,6-trimethylpyran-3-one

6-methoxy-2,2,6-trimethylpyran-3-one (PubChem CID 11008346) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 6-methoxy-2,2,6-trimethylpyran-3-one.

Molecular Properties

Compound Name6-methoxy-2,2,6-trimethylpyran-3-one
PubChem CID11008346
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name6-methoxy-2,2,6-trimethylpyran-3-one
SMILESCOC1(C)C=CC(=O)C(C)(C)O1
InChIInChI=1S/C9H14O3/c1-8(2)7(10)5-6-9(3,11-4)12-8/h5-6H,1-4H3
InChIKeyZLPXYFIYVNIETF-UHFFFAOYSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,6-Dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-one
CID 11052517
2H-Pyran-3(6H)-one, 6-(1,1-dimethylethoxy)-
CID 11137555
tert-butyl [(2S,6S)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate
CID 11665775
Dimethyloxycyclohexadien-on
CID 15401617
6,6-Dimethylpyran-2,5-dione
CID 11018948
(1R,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
CID 11126469
6-Hydroxy-2,2,6-trimethyl-2H-pyran-3(6H)-one
CID 11126499
6-Tert-butylperoxy-6-methylpyran-3-one
CID 11401384
tert-butyl [(2S,6R)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate
CID 11961824
(6,6-dimethyl-5-oxo-2H-pyran-2-yl) acetate
CID 12042631
6,6-Dimethoxy-4-methylcyclohexa-2,4-dien-1-one
CID 12153808
tert-butyl [(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate
CID 102407563

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,2,6-trimethylpyran-3-one?
The IUPAC name of 6-methoxy-2,2,6-trimethylpyran-3-one (CID 11008346) is 6-methoxy-2,2,6-trimethylpyran-3-one.
What is the SMILES notation for 6-methoxy-2,2,6-trimethylpyran-3-one?
The canonical SMILES for 6-methoxy-2,2,6-trimethylpyran-3-one is COC1(C)C=CC(=O)C(C)(C)O1.
What is the InChIKey of 6-methoxy-2,2,6-trimethylpyran-3-one?
The InChIKey is ZLPXYFIYVNIETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-8(2)7(10)5-6-9(3,11-4)12-8/h5-6H,1-4H3.
What are the key properties of 6-methoxy-2,2,6-trimethylpyran-3-one?
6-methoxy-2,2,6-trimethylpyran-3-one has a molecular weight of 170.21 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,2,6-trimethylpyran-3-one is sourced from PubChem (CID 11008346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).