3,4-dimethoxy-2H-furan-5-one

C6H8O4 — CID 10844503

IUPAC3,4-dimethoxy-2H-furan-5-one
SMILESCOC1=C(OC)C(=O)OC1
InChIInChI=1S/C6H8O4/c1-8-4-3-10-6(7)5(4)9-2/h3H2,1-2H3
InChIKeyPIIQZOLVMWWXJB-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.05
Rot. Bonds2

About 3,4-dimethoxy-2H-furan-5-one

3,4-dimethoxy-2H-furan-5-one (PubChem CID 10844503) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 3,4-dimethoxy-2H-furan-5-one.

Molecular Properties

Compound Name3,4-dimethoxy-2H-furan-5-one
PubChem CID10844503
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name3,4-dimethoxy-2H-furan-5-one
SMILESCOC1=C(OC)C(=O)OC1
InChIInChI=1S/C6H8O4/c1-8-4-3-10-6(7)5(4)9-2/h3H2,1-2H3
InChIKeyPIIQZOLVMWWXJB-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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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-2H-furan-5-one?
The IUPAC name of 3,4-dimethoxy-2H-furan-5-one (CID 10844503) is 3,4-dimethoxy-2H-furan-5-one.
What is the SMILES notation for 3,4-dimethoxy-2H-furan-5-one?
The canonical SMILES for 3,4-dimethoxy-2H-furan-5-one is COC1=C(OC)C(=O)OC1.
What is the InChIKey of 3,4-dimethoxy-2H-furan-5-one?
The InChIKey is PIIQZOLVMWWXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c1-8-4-3-10-6(7)5(4)9-2/h3H2,1-2H3.
What are the key properties of 3,4-dimethoxy-2H-furan-5-one?
3,4-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 3,4-dimethoxy-2H-furan-5-one is sourced from PubChem (CID 10844503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).