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
    2.5855    0.8162   -0.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2907    0.0832    0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1640   -1.2547    0.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1858   -1.4993    0.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8391   -0.3083    0.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0847    0.5899   -0.0502 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2884   -0.1479    0.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8048    1.0411   -0.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4195    0.2334    0.2598 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7994    0.9886   -1.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5246    1.7754    0.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9554   -1.9989    0.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6662   -2.4667    0.6021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9454   -0.9747    0.3544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    1.9253   -0.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8817    1.1974   -0.0695 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