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
    3.0264   -1.1183    0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7422   -1.2400    0.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8234   -0.1427   -0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2402    1.1221   -0.3779 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3460    2.1737   -0.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0038    1.9251   -0.5231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4582    0.6349   -0.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5615   -0.3644    0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6463   -1.3259    0.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6164   -0.2308    0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5141   -0.2029   -0.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6883   -1.9781    0.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3350   -2.2423    0.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3116    1.3038   -0.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7590    3.1396   -0.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7206    2.7163   -0.6995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6511   -1.7633    1.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6638   -2.0868   -0.5375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2729   -0.4093   -0.8520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1916    0.0893    0.9490 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