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
    3.2238   -0.2272    0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9973   -0.6889    0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8147    0.1360    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8952    1.5016    0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2851    2.2384    0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4977    1.6023   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6038    0.1938   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4459   -0.5030   -0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1766   -1.7821   -0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4300   -1.0024   -0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4580    0.8125    0.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0475   -0.9192    0.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8642   -1.7702   -0.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8580    1.9661    0.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2067    3.3022    0.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4474    2.1374   -0.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0119   -2.4075   -0.9190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9857   -2.3321    0.9452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0581   -1.0584    0.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0096   -1.1993   -0.9470 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