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
    3.0709   -0.8608    0.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7833   -1.1098    0.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8258   -0.0396    0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1766    1.2869   -0.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1858    2.2342   -0.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1222    1.8539   -0.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4634    0.4964   -0.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5341   -0.4394    0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5293   -1.5129    0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5528   -0.4960   -0.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5015    0.1178    0.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7794   -1.6876    0.4321 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4755   -2.1401    0.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2213    1.5933   -0.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4377    3.2879   -0.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9444    2.5801   -0.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3371   -2.2257   -0.7818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6384   -2.0246    1.0483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2932   -0.3418    0.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0431   -0.5724   -1.1243 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