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
    2.1717    1.8150   -0.3005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1681    0.5159   -0.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9754   -0.3002   -0.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9852   -1.6520   -0.6081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1526   -2.4356   -0.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3284   -1.8942    0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -0.5124    0.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2069    0.2598    0.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9407    1.4450    0.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1413    0.6137    0.7696 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2892    2.3329    0.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1030    2.3539   -0.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0869    0.0423   -0.9276 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8881   -2.1143   -0.9692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1400   -3.5127   -0.6216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2270   -2.4743    0.2075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0804    2.1960   -0.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5993    1.9016    1.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9915    0.8846    0.0795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5344    0.5352    1.8053 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