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
    1.7596   -1.5725   -1.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3902   -0.3352   -1.7183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611    0.3853   -0.8689 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0781    1.6751   -1.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8056    2.3641   -0.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3072    1.7174    0.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9236    0.3921    1.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0645   -0.2660    0.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1075   -1.4747    1.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0661   -0.7628    1.9599 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4629   -2.0818   -2.2192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3788   -2.1561   -0.7534 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125    0.2240   -2.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4980    2.1504   -2.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0854    3.3771   -0.5684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0175    2.2017    1.4577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5959   -2.3650    0.6238 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8929   -1.6945    1.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6622   -0.5867    2.9987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0987   -1.1921    1.9888 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