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
    2.3200   -1.5271    0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1684   -0.3299   -0.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9040    0.3646   -0.3997 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7987    1.6389   -0.8942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4048    2.3129   -0.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4977    1.6875   -0.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3746    0.3725    0.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2065   -0.2760    0.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7938   -1.4724    0.7958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0711   -0.7451    0.8462 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3004   -2.0299   -0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5573   -2.0887    0.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0342    0.1564   -0.9236 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6859    2.1172   -1.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4784    3.3175   -1.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4659    2.1829   -0.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621   -2.3873    0.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3981   -1.6367    1.8277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4404   -0.4304    1.8489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8756   -1.2270    0.2319 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