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
    2.5968   -1.1106   -0.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2634    0.1152   -0.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8775    0.5342   -0.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5236    1.8304   -0.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7716    2.2826   -0.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7589    1.4122   -0.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4353    0.1105    0.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1272   -0.3142    0.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5507   -1.6683    0.6225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9829   -1.2019    0.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8585   -1.8116    0.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6327   -1.4062   -0.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9932    0.8675   -0.6345 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2940    2.4958   -0.8854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0304    3.3013   -0.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8043    1.7583   -0.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1252   -1.9412    1.6120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4032   -2.4447   -0.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3993   -1.1765    1.7200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6505   -1.6327   -0.0785 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