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
   -2.5129    0.8360    0.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2751    0.1064    0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2270   -1.1213   -0.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0959   -1.4123   -0.7595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8263   -0.3417   -0.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0381    0.5051    0.2216 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2968   -0.2016   -0.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8129    0.8923    0.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2457    0.1544    1.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1665    1.5641    1.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9863    1.3861   -0.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0674   -1.7604   -0.7720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5400   -2.2859   -1.2355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8487   -1.0045   -0.7615 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2171    1.6706    0.6413 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8812    1.0128    0.1821 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