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
    2.0192   -1.1398    1.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8123    0.1348    1.3634 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7068    0.5980    0.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4596    1.9434    0.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5803    2.3971   -0.4194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3959    1.4822   -1.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1769    0.0971   -0.9025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1480   -0.3091   -0.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4639   -1.7244   -0.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5874   -1.2650   -1.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4334   -1.9347    1.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8624   -1.4702    2.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4873    0.8446    1.8374 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1062    2.6792    0.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7410    3.4728   -0.5267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2150    1.7863   -1.6664 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3502   -2.2917   -0.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8278   -2.2988    0.4882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4910   -1.5627   -2.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6102   -1.4390   -0.8139 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