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
    3.2134    0.1674   -0.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9946    0.5938   -0.3793 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8130   -0.1143    0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8619   -1.3106    0.7437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2932   -1.9600    1.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4881   -1.3757    0.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5534   -0.1598    0.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330    0.4634   -0.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1671    1.5562   -0.8776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4052    0.8870   -0.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3926   -0.7479    0.3711 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0641    0.7677   -0.5184 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8813    1.5413   -0.9255 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8301   -1.7441    0.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2064   -2.8917    1.6784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4406   -1.8307    1.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1110    1.5923   -2.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9329    2.5441   -0.4159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9623    1.5104    0.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0579    0.5111   -1.2899 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