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
    3.2079   -0.4355   -0.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9642   -0.7898   -0.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7972    0.0812   -0.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9720    1.4433   -0.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1499    2.2516   -0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4155    1.7196   -0.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5932    0.3291   -0.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -0.4739   -0.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2812   -1.7323   -0.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4735   -0.8373   -0.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4889    0.5927   -0.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0089   -1.1668   -0.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7726   -1.8725   -0.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9685    1.8494   -0.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0003    3.3289   -0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3055    2.3179   -0.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1894   -2.3886    0.5432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1101   -2.2925   -1.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1107   -0.9865    0.5684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0549   -0.9379   -1.2708 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