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
   -3.2023   -0.5969   -0.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9331   -0.9150   -0.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8425    0.0030    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0533    1.3206    0.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0323    2.1889    0.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3142    1.7268    0.3862 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5181    0.3749    0.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4859   -0.4696   -0.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3878   -1.5905   -0.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5227   -0.6751   -0.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5608    0.3973    0.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9816   -1.3321   -0.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7086   -1.9669   -0.4452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0569    1.7105    0.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1490    3.2252    0.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1924    2.3696    0.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3770   -1.9963   -1.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3362   -2.3786    0.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1488   -0.9104    0.7549 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1726   -0.4855   -1.0561 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