Products for Research Use Only

2-Ethyl-5-Methylfuran

CAT: 0013-GTR19258917-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258917-01Size:5 mg
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Description
2-Ethyl-5-Methylfuran is a furan derivative widely used in biochemical experiments and drug synthesis research.
CAS Number
1703-52-2
Smiles
O1C (=CC=C1CC) C
Molecular Formula
C7H10O
Molecular Weight
110.15
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Ethyl-5-methylfuran

2-ethyl-5-methylfuran is a member of the class of furans that is furan in which the hydrogens at positions 2 and 5 are replaced by ethyl and methyl groups, respectively. It has a role as a flavouring agent, a mouse metabolite, a plant metabolite, a fungal metabolite and a human urinary metabolite.

CAS Number1703-52-2
PubChem CID74346
IUPAC Name2-ethyl-5-methylfuran
Molecular FormulaC7H10O
Molecular Weight110.15
XLogP2.2
Topological Polar Surface Area13.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity70
SMILES
CCC1=CC=C(O1)C
InChI
InChI=1S/C7H10O/c1-3-7-5-4-6(2)8-7/h4-5H,3H2,1-2H3
InChIKey
NBXLPPVOZWYADY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethyl-5-methylfuran
CAS: 1703-52-2
CID: 74346
Formula: C7H10O
MW: 110.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight110.15
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass110.073164938
Monoisotopic Mass110.073164938
Topological Polar Surface Area13.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity70.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes