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
    3.2057   -0.1219    0.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0514   -0.6730    0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8245    0.1177    0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7742    1.4509    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3848    2.1914    0.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5569    1.5285    0.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5455    0.1593   -0.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3896   -0.5254   -0.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0748   -1.7766   -0.5272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3455   -1.0353   -0.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0989   -0.7318    0.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3002    0.9020    0.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9640   -1.7333   -0.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7111    1.9685    0.6285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3698    3.2373    0.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5209    2.0122    0.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7542   -2.2061   -1.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0335   -2.5665    0.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9031   -0.9444   -1.4599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0515   -1.2534    0.3317 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