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
    2.6549   -0.2355   -2.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4358   -0.5541   -1.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7455    0.0874   -0.5794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3095    1.0875    0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5724    1.6480    1.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6868    1.2119    1.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2794    0.1779    0.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5664   -0.3589   -0.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6587   -1.2929   -0.6428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4196   -0.6879    0.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1219   -0.7540   -2.8996 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1906    0.5346   -1.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9569   -1.3427   -2.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3030    1.4485   -0.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0351    2.4301    1.7779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2966    1.6173    2.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3380   -2.3562   -0.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1154   -1.1012   -1.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6573   -1.4390    1.2508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3076   -0.1206    0.0998 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