3-methoxy-6,6-dimethylpyran-2,5-dione

C8H10O4 — CID 130027764

IUPAC3-methoxy-6,6-dimethylpyran-2,5-dione
SMILESCOC1=CC(=O)C(C)(C)OC1=O
InChIInChI=1S/C8H10O4/c1-8(2)6(9)4-5(11-3)7(10)12-8/h4H,1-3H3
InChIKeyZDUYBGAZVITKMS-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.42
Rot. Bonds1

About 3-methoxy-6,6-dimethylpyran-2,5-dione

3-methoxy-6,6-dimethylpyran-2,5-dione (PubChem CID 130027764) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 3-methoxy-6,6-dimethylpyran-2,5-dione.

Molecular Properties

Compound Name3-methoxy-6,6-dimethylpyran-2,5-dione
PubChem CID130027764
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name3-methoxy-6,6-dimethylpyran-2,5-dione
SMILESCOC1=CC(=O)C(C)(C)OC1=O
InChIInChI=1S/C8H10O4/c1-8(2)6(9)4-5(11-3)7(10)12-8/h4H,1-3H3
InChIKeyZDUYBGAZVITKMS-UHFFFAOYSA-N
XLogP0.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethoxy-2,2-dimethylfuran-3-one
CID 13209943
5-(3-isocyano-4-methoxyphenyl)-2,2-dimethylfuran-3-one
CID 59354800
2,2-dimethyl-5-(2-methylpropyl)furan-3-one
CID 13333782
5-hydroxy-3-methoxy-5-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 12695569
benzene;3,3-dimethyl-2-benzofuran-1-one;ethane;methoxymethane
CID 91422174
3-[2-(carboxymethyl)-4-methoxy-5-oxofuran-2-yl]propanoic acid
CID 10900853
(1S,2S,5R,6R)-8-methoxy-1-methyltricyclo[4.4.0.02,5]deca-3,8-diene-7,10-dione
CID 10932574
4,5,6,7-tetramethoxy-2,2-dimethyl-1-benzofuran-3-one
CID 139807141
4-methoxy-1-prop-1-enyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
CID 163014231
methyl (2,2,6,6-tetramethyl-5-oxopyran-3-yl) carbonate
CID 155759527
5-ethylidene-3,6,6-trimethylpyran-2-one
CID 162968355
6,18-dimethoxyheptacyclo[10.8.0.01,17.02,11.05,9.09,14.010,13]icosa-4,6,16,18-tetraene-3,8,15,20-tetrone
CID 102585768

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6,6-dimethylpyran-2,5-dione?
The IUPAC name of 3-methoxy-6,6-dimethylpyran-2,5-dione (CID 130027764) is 3-methoxy-6,6-dimethylpyran-2,5-dione.
What is the SMILES notation for 3-methoxy-6,6-dimethylpyran-2,5-dione?
The canonical SMILES for 3-methoxy-6,6-dimethylpyran-2,5-dione is COC1=CC(=O)C(C)(C)OC1=O.
What is the InChIKey of 3-methoxy-6,6-dimethylpyran-2,5-dione?
The InChIKey is ZDUYBGAZVITKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-8(2)6(9)4-5(11-3)7(10)12-8/h4H,1-3H3.
What are the key properties of 3-methoxy-6,6-dimethylpyran-2,5-dione?
3-methoxy-6,6-dimethylpyran-2,5-dione has a molecular weight of 170.16 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6,6-dimethylpyran-2,5-dione is sourced from PubChem (CID 130027764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).