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
   -2.8454   -1.3183    0.6203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5484   -1.2682    0.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7929   -0.2070    0.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4066    0.8053   -0.6469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6211    1.7828   -1.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310    1.7361   -1.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3590    0.7088   -0.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6165   -0.2504    0.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7950   -0.9299    0.7603 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6105    0.1152    0.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4725   -0.6180    0.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3910   -2.1417    1.1128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0348   -2.0355    1.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5012    0.8385   -0.7617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0806    2.5844   -1.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4009    2.4949   -1.5141 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8840   -1.9668    0.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8787   -0.9050    1.8854 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1544    0.8178    0.8235 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2645   -0.2431   -0.7003 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