4-methoxy-2,3-dimethyl-2H-furan-5-one

C7H10O3 — CID 15046850

IUPAC4-methoxy-2,3-dimethyl-2H-furan-5-one
SMILESCOC1=C(C)C(C)OC1=O
InChIInChI=1S/C7H10O3/c1-4-5(2)10-7(8)6(4)9-3/h5H,1-3H3
InChIKeyFTXMHLVTTZNHFG-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.85
Rot. Bonds1

About 4-methoxy-2,3-dimethyl-2H-furan-5-one

4-methoxy-2,3-dimethyl-2H-furan-5-one (PubChem CID 15046850) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethyl-2H-furan-5-one.

Molecular Properties

Compound Name4-methoxy-2,3-dimethyl-2H-furan-5-one
PubChem CID15046850
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-methoxy-2,3-dimethyl-2H-furan-5-one
SMILESCOC1=C(C)C(C)OC1=O
InChIInChI=1S/C7H10O3/c1-4-5(2)10-7(8)6(4)9-3/h5H,1-3H3
InChIKeyFTXMHLVTTZNHFG-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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Related Compounds

Sotolone
CID 62835
5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone
CID 61199
4,5-Dimethyl-3-hydroxy-2,5-dihydro-2-furanone, (-)-
CID 12799212
4,5-Dimethyl-3-hydroxy-2,5-dihydro-2-furanone, (+)-
CID 5325921
Methyl 4,5-dihydrofuran-2-carboxylate
CID 12483585
3-Methoxy-5-methyl-2(5h)-furanone
CID 14813848
4-Ethyl-3-hydroxy-5-methyl-2(5H)-furanon
CID 13199939
5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone, (+)-
CID 5325922
Ethyl 4-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate
CID 123450304
Acetic acid 2-(4-acetoxy-5-oxo-2,5-dihydro-furan-3-yl)-ethyl ester
CID 14105177
2-Pentenoic acid, 2-methoxy-3-methyl-, methyl ester
CID 5363786
4-methoxy-3-methyl-2H-furan-5-one
CID 13597599

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethyl-2H-furan-5-one?
The IUPAC name of 4-methoxy-2,3-dimethyl-2H-furan-5-one (CID 15046850) is 4-methoxy-2,3-dimethyl-2H-furan-5-one.
What is the SMILES notation for 4-methoxy-2,3-dimethyl-2H-furan-5-one?
The canonical SMILES for 4-methoxy-2,3-dimethyl-2H-furan-5-one is COC1=C(C)C(C)OC1=O.
What is the InChIKey of 4-methoxy-2,3-dimethyl-2H-furan-5-one?
The InChIKey is FTXMHLVTTZNHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-5(2)10-7(8)6(4)9-3/h5H,1-3H3.
What are the key properties of 4-methoxy-2,3-dimethyl-2H-furan-5-one?
4-methoxy-2,3-dimethyl-2H-furan-5-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-2,3-dimethyl-2H-furan-5-one is sourced from PubChem (CID 15046850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).