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
    2.4224   -1.4150    0.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180   -0.1886   -0.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9177    0.4322   -0.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7764    1.7343   -0.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4516    2.3512   -0.8037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5369    1.6125   -0.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4216    0.2929    0.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2097   -0.2914    0.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794   -1.5280    0.6717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1122   -0.9060    0.5986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6089   -2.0338    0.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4208   -1.8100    0.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0851    0.4346   -0.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6718    2.2793   -1.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5269    3.3569   -1.1659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5467    2.0365   -0.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345   -1.8651    1.6731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6729   -2.3975   -0.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6305   -0.6970    1.5623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7981   -1.3982   -0.1442 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