Monomers

2-Ethenylbicyclo[4.2.0]octa-1,3,5-triene

Identifiers

IUPAC name
2-ethenylbicyclo[4.2.0]octa-1(6),2,4-triene
InchI
InChI=1S/C10H10/c1-2-8-4-3-5-9-6-7-10(8)9/h2-5H,1,6-7H2
InchI Key
ZETZHGKAZZCCRL-UHFFFAOYSA-N
SMILES
C=Cc1cccc2c1CC2
Canonical SMILES
C=CC1=CC=CC2=C1CC2
Isomeric SMILES
C=CC1=CC=CC2=C1CC2
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10
Heavy Atom Count
10
Molecular Weight
130.19
Exact Molecular Weight
130.0783
Valence Electrons
50
Radical Electrons
0
tPSA
0.0
MolLogP
2.4282
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.9262   -2.0540    0.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0893   -0.8923   -0.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0322    0.0822   -0.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1954    1.3085   -0.9721 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1753    2.2279   -1.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0790    1.9780   -0.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2712    0.7400    0.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2454   -0.1683    0.1482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1231   -1.1214    0.8527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2394   -0.1376    0.7533 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9957   -2.3763    0.8035 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7346   -2.7801    0.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0573   -0.6696   -0.6592 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1846    1.5142   -1.3723 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3475    3.1925   -1.5696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8859    2.6906   -0.6488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8437   -1.2723    1.9295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3275   -2.0783    0.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0962   -0.4613    0.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6267    0.2774    1.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  8  3  1  0
 10  7  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  4 14  1  0
  5 15  1  0
  6 16  1  0
  9 17  1  0
  9 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers