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
    3.0367   -1.0704   -0.3826 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7243   -1.2504   -0.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8192   -0.1259   -0.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2510    1.1845   -0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3232    2.1989   -0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0107    1.9627    0.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4059    0.6042    0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5526   -0.4237    0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6159   -1.4092    0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5565   -0.2911    0.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6606   -1.9431   -0.4476 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5148   -0.1274   -0.4680 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276   -2.2537   -0.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2694    1.4373   -0.3341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6256    3.2534   -0.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7570    2.7444    0.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6728   -2.0460   -0.6641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5881   -2.0031    1.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1043   -0.1680    1.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2886   -0.2733   -0.5169 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