2,3-dimethoxy-2H-furan-5-one

C6H8O4 — CID 12615322

IUPAC2,3-dimethoxy-2H-furan-5-one
SMILESCOC1=CC(=O)OC1OC
InChIInChI=1S/C6H8O4/c1-8-4-3-5(7)10-6(4)9-2/h3,6H,1-2H3
InChIKeyLMUKQORUKXNSBX-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.05
Rot. Bonds2

About 2,3-dimethoxy-2H-furan-5-one

2,3-dimethoxy-2H-furan-5-one (PubChem CID 12615322) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 2,3-dimethoxy-2H-furan-5-one.

Molecular Properties

Compound Name2,3-dimethoxy-2H-furan-5-one
PubChem CID12615322
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name2,3-dimethoxy-2H-furan-5-one
SMILESCOC1=CC(=O)OC1OC
InChIInChI=1S/C6H8O4/c1-8-4-3-5(7)10-6(4)9-2/h3,6H,1-2H3
InChIKeyLMUKQORUKXNSBX-UHFFFAOYSA-N
XLogP0.05
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Hydroxy-3-methoxybutenolid
CID 11073448
(2R)-2-hydroxy-3-methoxy-2H-furan-5-one
CID 163086510
(3-methoxy-5-oxo-2H-furan-2-yl) acetate
CID 12886070
(r,s)-5-Butoxy-4-methoxy-5h-furan-2-one
CID 85535216
(r,s)-5-Allyloxy-4-methoxy-5h-furan-2-one
CID 85535218
4-ethoxy-2(5H)-furanone
CID 10866347
5-Oxo-2,5-dihydrofuran-3-yl acetate
CID 12565887
4-Propoxyfuran-2(5H)-one
CID 13987376
tert-butyl (Z)-3-(1,4-dioxan-2-yloxy)but-2-enoate
CID 121015288
propan-2-yl (Z)-3-(1,4-dioxan-2-yloxy)but-2-enoate
CID 121222390
Methyl 5-methoxy-2,5-dihydrofurylideneacetate
CID 129794912
ethyl (Z)-3-(methoxymethoxy)but-2-enoate
CID 134937263

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-2H-furan-5-one?
The IUPAC name of 2,3-dimethoxy-2H-furan-5-one (CID 12615322) is 2,3-dimethoxy-2H-furan-5-one.
What is the SMILES notation for 2,3-dimethoxy-2H-furan-5-one?
The canonical SMILES for 2,3-dimethoxy-2H-furan-5-one is COC1=CC(=O)OC1OC.
What is the InChIKey of 2,3-dimethoxy-2H-furan-5-one?
The InChIKey is LMUKQORUKXNSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c1-8-4-3-5(7)10-6(4)9-2/h3,6H,1-2H3.
What are the key properties of 2,3-dimethoxy-2H-furan-5-one?
2,3-dimethoxy-2H-furan-5-one has a molecular weight of 144.13 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-2H-furan-5-one is sourced from PubChem (CID 12615322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).