4-(2,5-dimethyl-4-oxofuran-3-yl)oxy-2,5-dimethylfuran-3-one

C12H14O5 — CID 67743064

IUPAC4-(2,5-dimethyl-4-oxofuran-3-yl)oxy-2,5-dimethylfuran-3-one
SMILESCC1=C(OC2=C(C)OC(C)C2=O)C(=O)C(C)O1
InChIInChI=1S/C12H14O5/c1-5-9(13)11(7(3)15-5)17-12-8(4)16-6(2)10(12)14/h5-6H,1-4H3
InChIKeySEYFLIUORXAXBL-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.44
Rot. Bonds2

About 4-(2,5-dimethyl-4-oxofuran-3-yl)oxy-2,5-dimethylfuran-3-one

4-(2,5-dimethyl-4-oxofuran-3-yl)oxy-2,5-dimethylfuran-3-one (PubChem CID 67743064) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is 4-(2,5-dimethyl-4-oxofuran-3-yl)oxy-2,5-dimethylfuran-3-one.

Molecular Properties

Compound Name4-(2,5-dimethyl-4-oxofuran-3-yl)oxy-2,5-dimethylfuran-3-one
PubChem CID67743064
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name4-(2,5-dimethyl-4-oxofuran-3-yl)oxy-2,5-dimethylfuran-3-one
SMILESCC1=C(OC2=C(C)OC(C)C2=O)C(=O)C(C)O1
InChIInChI=1S/C12H14O5/c1-5-9(13)11(7(3)15-5)17-12-8(4)16-6(2)10(12)14/h5-6H,1-4H3
InChIKeySEYFLIUORXAXBL-UHFFFAOYSA-N
XLogP1.44
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-4-oxofuran-3-yl)oxy-2,5-dimethylfuran-3-one?
The IUPAC name of 4-(2,5-dimethyl-4-oxofuran-3-yl)oxy-2,5-dimethylfuran-3-one (CID 67743064) is 4-(2,5-dimethyl-4-oxofuran-3-yl)oxy-2,5-dimethylfuran-3-one.
What is the SMILES notation for 4-(2,5-dimethyl-4-oxofuran-3-yl)oxy-2,5-dimethylfuran-3-one?
The canonical SMILES for 4-(2,5-dimethyl-4-oxofuran-3-yl)oxy-2,5-dimethylfuran-3-one is CC1=C(OC2=C(C)OC(C)C2=O)C(=O)C(C)O1.
What is the InChIKey of 4-(2,5-dimethyl-4-oxofuran-3-yl)oxy-2,5-dimethylfuran-3-one?
The InChIKey is SEYFLIUORXAXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-5-9(13)11(7(3)15-5)17-12-8(4)16-6(2)10(12)14/h5-6H,1-4H3.
What are the key properties of 4-(2,5-dimethyl-4-oxofuran-3-yl)oxy-2,5-dimethylfuran-3-one?
4-(2,5-dimethyl-4-oxofuran-3-yl)oxy-2,5-dimethylfuran-3-one has a molecular weight of 238.24 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-4-oxofuran-3-yl)oxy-2,5-dimethylfuran-3-one is sourced from PubChem (CID 67743064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).