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
    3.0482   -1.1656   -0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7337   -1.2579   -0.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.1321   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2827    1.1604    0.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3506    2.1957    0.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9908    1.9596    0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4207    0.6243    0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5690   -0.4083   -0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6484   -1.3930   -0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5874   -0.2553   -0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7109   -2.0117   -0.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4869   -0.1865    0.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3346   -2.2727   -0.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3152    1.4232    0.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6890    3.2402    0.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7372    2.7690    0.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7652   -2.0408    0.8168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6190   -1.9386   -1.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2248   -0.1587   -0.9445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2061   -0.1513    0.8899 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