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
    1.7720   -2.1077    0.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9856   -0.9996   -0.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9779    0.0455   -0.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2614    1.2604   -1.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3094    2.2508   -1.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9226    2.0203   -0.5015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2021    0.7777    0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2838   -0.2012    0.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2035   -1.0936    0.8803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2072   -0.0172    0.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8604   -2.3078    0.7818 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5296   -2.8757    0.3081 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9536   -0.8700   -0.8401 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2537    1.4091   -1.4347 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5815    3.1781   -1.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7001    2.7743   -0.5222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4266   -2.0128    0.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9423   -1.3059    1.9503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0862   -0.3369    0.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5105    0.4123    1.8240 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