Monomers

2-Ethenyl-5-methylfuran

Identifiers

IUPAC name
2-ethenyl-5-methylfuran
InchI
InChI=1S/C7H8O/c1-3-7-5-4-6(2)8-7/h3-5H,1H2,2H3
InchI Key
LTQOQNQWJBSGPF-UHFFFAOYSA-N
SMILES
Cc1ccc(o1)C=C
Canonical SMILES
CC1=CC=C(O1)C=C
Isomeric SMILES
CC1=CC=C(O1)C=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H8O
Heavy Atom Count
8
Molecular Weight
108.14
Exact Molecular Weight
108.0575
Valence Electrons
42
Radical Electrons
0
tPSA
13.14
MolLogP
2.231
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -2.8457    0.3897    0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4281    0.0748    0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9563   -0.9097   -0.8219 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4301   -0.8252   -0.7093 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7185    0.1857    0.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4118    0.6991    0.5841 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0316    0.6619    0.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1444    0.1120    0.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208   -0.3857    0.9134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4495    0.4787   -0.6547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9568    1.3457    0.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4696   -1.6197   -1.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1512   -1.4279   -1.2097 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1333    1.4746    1.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1252   -0.7075   -0.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1041    0.4535    0.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  3
  6  2  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  3 12  1  0
  4 13  1  0
  7 14  1  0
  8 15  1  0
  8 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers