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
    3.0973   -0.2791    0.8796 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8495   -0.6945    0.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7962    0.0890    0.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0344    1.3117   -0.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0110    2.0180   -1.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2496    1.4789   -1.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4975    0.2217   -0.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5064   -0.4697    0.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3905   -1.5675    0.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4804   -0.8148   -0.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8342   -0.9199    1.3886 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4300    0.6502    0.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5839   -1.6585    1.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0509    1.7241   -0.4144 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2494    2.9703   -1.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0959    1.9657   -1.5207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0584   -2.4961   -0.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5135   -1.7333    1.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2584   -0.4163    0.5275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8862   -1.3797   -1.0303 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