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
    2.3881   -1.4924   -0.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2271   -0.2179   -0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9533    0.4622    0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8317    1.8111    0.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3678    2.4667    0.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5046    1.7014    0.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4602    0.3164    0.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2492   -0.2733   -0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8430   -1.5923   -0.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1520   -0.9646   -0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4033   -1.8952   -0.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5929   -2.1778   -0.3900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1202    0.4264    0.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7337    2.3988    0.3477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655    3.5306    0.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4987    2.1308    0.3072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5579   -2.3152    0.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6443   -2.0716   -1.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7231   -1.3186    0.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7838   -0.9257   -1.0520 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