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
    2.0196   -1.9099   -0.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1453   -0.6129   -0.5463 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0031    0.2654   -0.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1611    1.6342   -0.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1239    2.4922    0.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1139    1.9387    0.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3312    0.5595    0.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2541   -0.2435    0.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1234   -1.4421    0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2941   -0.5733    0.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0715   -2.3750   -0.4469 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8663   -2.5152   -0.8681 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1046   -0.1378   -0.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1719    2.0132   -0.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2960    3.5631    0.1968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9156    2.6341    0.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8284   -2.1464    0.9908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2903   -1.9569   -0.8051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7147   -0.6867    1.5228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0976   -0.5009   -0.2500 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