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
    3.1613   -0.2579   -0.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9217   -0.6895   -0.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8163    0.0959   -0.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    1.3672    0.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375    2.0972    0.8767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3819    1.5166    0.8666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5714    0.2078    0.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4946   -0.4449   -0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2813   -1.6269   -0.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4562   -0.9194    0.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4111    0.7118   -0.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9614   -0.9066   -1.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7280   -1.6827   -0.9966 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9458    1.8275    0.3893 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0396    3.1011    1.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2460    2.0394    1.2356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9332   -2.5257    0.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3173   -1.8740   -1.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2209   -0.5885   -0.6683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8867   -1.4484    0.9553 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