4-methoxy-5,5-dimethylfuran-2-one

C7H10O3 — CID 12508475

IUPAC4-methoxy-5,5-dimethylfuran-2-one
SMILESCOC1=CC(=O)OC1(C)C
InChIInChI=1S/C7H10O3/c1-7(2)5(9-3)4-6(8)10-7/h4H,1-3H3
InChIKeyLSHZAASLDZQKLD-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.85
Rot. Bonds1

About 4-methoxy-5,5-dimethylfuran-2-one

4-methoxy-5,5-dimethylfuran-2-one (PubChem CID 12508475) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-methoxy-5,5-dimethylfuran-2-one.

Molecular Properties

Compound Name4-methoxy-5,5-dimethylfuran-2-one
PubChem CID12508475
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-methoxy-5,5-dimethylfuran-2-one
SMILESCOC1=CC(=O)OC1(C)C
InChIInChI=1S/C7H10O3/c1-7(2)5(9-3)4-6(8)10-7/h4H,1-3H3
InChIKeyLSHZAASLDZQKLD-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

Analyze 4-methoxy-5,5-dimethylfuran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Fluoro-4-methoxy-5,5-dimethylfuran-2(5H)-one
CID 15488152
(R)-5-methyl-tetronate
CID 162422389
InChI=1/C8H11FO3/c1-4-11-6-5(9)7(10)12-8(6,2)3/h4H2,1-3H
CID 15488153
3-Fluoro-5,5-dimethyl-4-propoxyfuran-2-one
CID 15488154
InChI=1/C9H13FO3/c1-5(2)12-7-6(10)8(11)13-9(7,3)4/h5H,1-4H
CID 15488155
InChI=1/C10H15FO3/c1-9(2,3)13-7-6(11)8(12)14-10(7,4)5/h1-5H
CID 15488157
4-Butoxy-3-fluoro-5,5-dimethylfuran-2-one
CID 15488156
3-ethoxy-2-methyl-2H-furan-5-one
CID 12427224
(2S)-3-but-3-en-2-yloxy-2-methyl-2H-furan-5-one
CID 134972768
4-Methoxy-5-methyl-2(5H)-furanone
CID 11469088
4-Hydroxy-5,5-dimethyl-2(5H)-furanone
CID 54720139
(5Z)-5-butan-2-ylidene-4-ethoxyfuran-2-one
CID 12026270

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5,5-dimethylfuran-2-one?
The IUPAC name of 4-methoxy-5,5-dimethylfuran-2-one (CID 12508475) is 4-methoxy-5,5-dimethylfuran-2-one.
What is the SMILES notation for 4-methoxy-5,5-dimethylfuran-2-one?
The canonical SMILES for 4-methoxy-5,5-dimethylfuran-2-one is COC1=CC(=O)OC1(C)C.
What is the InChIKey of 4-methoxy-5,5-dimethylfuran-2-one?
The InChIKey is LSHZAASLDZQKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-7(2)5(9-3)4-6(8)10-7/h4H,1-3H3.
What are the key properties of 4-methoxy-5,5-dimethylfuran-2-one?
4-methoxy-5,5-dimethylfuran-2-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-5,5-dimethylfuran-2-one is sourced from PubChem (CID 12508475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).