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
   -1.4480   -1.1780    2.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0751    0.0811    1.9989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3309    0.5487    0.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0221    1.9022    0.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7234    2.3716   -0.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0664    1.4783   -1.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7344    0.1234   -1.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0293   -0.3283   -0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0354   -1.7068   -0.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7920   -1.2133   -1.9047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2451   -1.9283    1.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0091   -1.4565    2.9951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3253    0.7887    2.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2778    2.5434    1.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0054    3.4341   -0.4401 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6183    1.8530   -2.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9803   -2.0872   -1.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5926   -2.4427   -0.0784 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8495   -1.5300   -1.9913 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2228   -1.2534   -2.8687 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