4-methoxy-2,2-dimethylfuran-3-one

C7H10O3 — CID 67700961

IUPAC4-methoxy-2,2-dimethylfuran-3-one
SMILESCOC1=COC(C)(C)C1=O
InChIInChI=1S/C7H10O3/c1-7(2)6(8)5(9-3)4-10-7/h4H,1-3H3
InChIKeyLCYKOEKYZHRGIQ-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.85
Rot. Bonds1

About 4-methoxy-2,2-dimethylfuran-3-one

4-methoxy-2,2-dimethylfuran-3-one (PubChem CID 67700961) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-methoxy-2,2-dimethylfuran-3-one.

Molecular Properties

Compound Name4-methoxy-2,2-dimethylfuran-3-one
PubChem CID67700961
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-methoxy-2,2-dimethylfuran-3-one
SMILESCOC1=COC(C)(C)C1=O
InChIInChI=1S/C7H10O3/c1-7(2)6(8)5(9-3)4-10-7/h4H,1-3H3
InChIKeyLCYKOEKYZHRGIQ-UHFFFAOYSA-N
XLogP0.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,2-dimethylfuran-3-one?
The IUPAC name of 4-methoxy-2,2-dimethylfuran-3-one (CID 67700961) is 4-methoxy-2,2-dimethylfuran-3-one.
What is the SMILES notation for 4-methoxy-2,2-dimethylfuran-3-one?
The canonical SMILES for 4-methoxy-2,2-dimethylfuran-3-one is COC1=COC(C)(C)C1=O.
What is the InChIKey of 4-methoxy-2,2-dimethylfuran-3-one?
The InChIKey is LCYKOEKYZHRGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-7(2)6(8)5(9-3)4-10-7/h4H,1-3H3.
What are the key properties of 4-methoxy-2,2-dimethylfuran-3-one?
4-methoxy-2,2-dimethylfuran-3-one has a molecular weight of 142.15 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,2-dimethylfuran-3-one is sourced from PubChem (CID 67700961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).