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
    1.9537   -1.8189   -0.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0537   -0.5163   -0.7521 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9422    0.3345   -0.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0408    1.7150   -0.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0240    2.4927   -0.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1743    1.9195    0.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2646    0.5095    0.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2361   -0.2695    0.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9694   -1.4871    0.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0956   -0.6236    0.8445 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -2.3561   -0.4309 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8239   -2.4327   -1.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0137   -0.0508   -1.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9484    2.1423   -0.8516 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0455    3.5852   -0.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0457    2.4870    0.6693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2692   -2.1386   -0.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4886   -2.0534    1.2966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3042   -0.7347    1.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0293   -0.7038    0.2403 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