2,5-dimethylfuran

C6H8O — CID 12266

IUPAC2,5-dimethylfuran
SMILESCc1ccc(C)o1
InChIInChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3
InChIKeyGSNUFIFRDBKVIE-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.90
Rot. Bonds

About 2,5-dimethylfuran

2,5-dimethylfuran (PubChem CID 12266) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is 2,5-dimethylfuran.

Molecular Properties

Compound Name2,5-dimethylfuran
PubChem CID12266
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name2,5-dimethylfuran
SMILESCc1ccc(C)o1
InChIInChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3
InChIKeyGSNUFIFRDBKVIE-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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Related Compounds

Furfural
CID 7362
2-Methylfuran
CID 10797
2-Pentylfuran
CID 19602
5-Methylfurfural
CID 12097
2-Acetyl-5-Methylfuran
CID 14514
2-Furanmethanethiol
CID 7363
2-Acetylfuran
CID 14505
2-Ethylfuran
CID 18554
3-Acetyl-2,5-dimethylfuran
CID 61527
2-Butylfuran
CID 20534
2-Ethyl-5-methylfuran
CID 74346
Furfuryl isopropyl sulfide
CID 61282

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylfuran?
The IUPAC name of 2,5-dimethylfuran (CID 12266) is 2,5-dimethylfuran.
What is the SMILES notation for 2,5-dimethylfuran?
The canonical SMILES for 2,5-dimethylfuran is Cc1ccc(C)o1.
What is the InChIKey of 2,5-dimethylfuran?
The InChIKey is GSNUFIFRDBKVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3.
What are the key properties of 2,5-dimethylfuran?
2,5-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 2,5-dimethylfuran is sourced from PubChem (CID 12266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).