2,4-dimethylfuran

C6H8O — CID 19462

IUPAC2,4-dimethylfuran
SMILESCc1coc(C)c1
InChIInChI=1S/C6H8O/c1-5-3-6(2)7-4-5/h3-4H,1-2H3
InChIKeyAABTWRKUKUPMJG-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.90
Rot. Bonds

About 2,4-dimethylfuran

2,4-dimethylfuran (PubChem CID 19462) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is 2,4-dimethylfuran.

Molecular Properties

Compound Name2,4-dimethylfuran
PubChem CID19462
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name2,4-dimethylfuran
SMILESCc1coc(C)c1
InChIInChI=1S/C6H8O/c1-5-3-6(2)7-4-5/h3-4H,1-2H3
InChIKeyAABTWRKUKUPMJG-UHFFFAOYSA-N
XLogP1.90
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylfuran?
The IUPAC name of 2,4-dimethylfuran (CID 19462) is 2,4-dimethylfuran.
What is the SMILES notation for 2,4-dimethylfuran?
The canonical SMILES for 2,4-dimethylfuran is Cc1coc(C)c1.
What is the InChIKey of 2,4-dimethylfuran?
The InChIKey is AABTWRKUKUPMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-5-3-6(2)7-4-5/h3-4H,1-2H3.
What are the key properties of 2,4-dimethylfuran?
2,4-dimethylfuran has a molecular weight of 96.13 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylfuran is sourced from PubChem (CID 19462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).