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
   -1.8208    1.9237    1.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0139    0.6390    0.8489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9844   -0.2524    0.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2339   -1.5936    0.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2814   -2.4514   -0.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9516   -1.9409   -0.7104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2638   -0.5775   -0.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2895    0.2196   -0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1761    1.3987   -0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2275    0.5191   -0.6768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8562    2.3461    0.8586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6293    2.5101    1.4769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9832    0.1771    1.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2170   -1.9746    0.4073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5054   -3.4906   -0.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7374   -2.5710   -1.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4788    1.8096    0.8529 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7935    2.1790   -0.8450 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4983    0.8119   -1.7199 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1090    0.3179   -0.0277 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