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

C9H14O4 — CID 11084563

IUPAC4-hydroxy-6-methoxy-2,2,6-trimethylpyran-3-one
SMILESCOC1(C)C=C(O)C(=O)C(C)(C)O1
InChIInChI=1S/C9H14O4/c1-8(2)7(11)6(10)5-9(3,12-4)13-8/h5,10H,1-4H3
InChIKeyZPTYBKABCJATPT-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.17
Rot. Bonds1

About 4-hydroxy-6-methoxy-2,2,6-trimethylpyran-3-one

4-hydroxy-6-methoxy-2,2,6-trimethylpyran-3-one (PubChem CID 11084563) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-hydroxy-6-methoxy-2,2,6-trimethylpyran-3-one.

Molecular Properties

Compound Name4-hydroxy-6-methoxy-2,2,6-trimethylpyran-3-one
PubChem CID11084563
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name4-hydroxy-6-methoxy-2,2,6-trimethylpyran-3-one
SMILESCOC1(C)C=C(O)C(=O)C(C)(C)O1
InChIInChI=1S/C9H14O4/c1-8(2)7(11)6(10)5-9(3,12-4)13-8/h5,10H,1-4H3
InChIKeyZPTYBKABCJATPT-UHFFFAOYSA-N
XLogP1.17
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-4,6-dimethoxy-6-methyl-2H-pyran-5-one
CID 162891934
2,4-Dimethoxy-2-methyl-6H-pyran-3-one
CID 85526577
6-Hydroxy-2,2,6-trimethyl-2H-pyran-3(6H)-one
CID 11126499
6-Ethyl-6-hydroxy-2,2-dimethylpyran-3-one
CID 135058249
6-Hydroxy-2,2-dimethyl-6-propylpyran-3-one
CID 135075746
2,4-Dihydroxy-2-methyl-2H-pyran-3(6H)-one
CID 15120158
4-Hydroxy-2,2,6,6-tetramethylpyran-3-one
CID 130026984
Methyl (2,2,6,6-tetramethyl-3-oxopyran-4-yl) carbonate
CID 141424847
(6R)-4,6-dihydroxy-6-methyl-2H-pyran-5-one
CID 170775277
(6S)-4,6-dihydroxy-6-methyl-2H-pyran-5-one
CID 170775278
6-Methoxy-2,2,6-trimethylpyran-3-one
CID 11008346
6-Hydroperoxy-2,2,6-trimethylpyran-3-one
CID 15526397

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methoxy-2,2,6-trimethylpyran-3-one?
The IUPAC name of 4-hydroxy-6-methoxy-2,2,6-trimethylpyran-3-one (CID 11084563) is 4-hydroxy-6-methoxy-2,2,6-trimethylpyran-3-one.
What is the SMILES notation for 4-hydroxy-6-methoxy-2,2,6-trimethylpyran-3-one?
The canonical SMILES for 4-hydroxy-6-methoxy-2,2,6-trimethylpyran-3-one is COC1(C)C=C(O)C(=O)C(C)(C)O1.
What is the InChIKey of 4-hydroxy-6-methoxy-2,2,6-trimethylpyran-3-one?
The InChIKey is ZPTYBKABCJATPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-8(2)7(11)6(10)5-9(3,12-4)13-8/h5,10H,1-4H3.
What are the key properties of 4-hydroxy-6-methoxy-2,2,6-trimethylpyran-3-one?
4-hydroxy-6-methoxy-2,2,6-trimethylpyran-3-one has a molecular weight of 186.21 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methoxy-2,2,6-trimethylpyran-3-one is sourced from PubChem (CID 11084563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).