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
    2.9540   -1.1855    0.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6694   -1.3015    0.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8170   -0.1265    0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2980    1.1316    0.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3812    2.1902    0.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9446    1.9757    0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4221    0.6689   -0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5622   -0.3623   -0.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6275   -1.3250   -0.3986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5705   -0.1893   -0.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4192   -0.2547    0.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5638   -2.0754    0.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2459   -2.3004   -0.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3245    1.3053    0.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7965    3.1943    0.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6571    2.7889    0.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4351   -1.8265   -1.3751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8629   -2.0369    0.4274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0376   -0.0873   -1.4179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3499   -0.1834    0.3802 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