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
    3.1798   -0.5333   -0.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9265   -0.7706   -0.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8099   -0.0080    0.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0306    1.0431    0.9136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0711    1.7504    1.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3398    1.4076    1.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5191    0.3304    0.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4876   -0.3844   -0.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3737   -1.2678   -1.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4891   -0.4900   -0.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9606   -1.1404   -0.6268 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5165    0.2532    0.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099   -1.5935   -1.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0181    1.3484    1.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0879    2.5749    2.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2028    1.9618    1.4166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2463   -2.3150   -0.7658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2998   -1.1644   -2.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0430    0.1102   -1.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1675   -1.1125    0.0632 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