Monomers

Dicyclopentadiene

Identifiers

IUPAC name
tricyclo[5.2.1.02,6]deca-3,8-diene
InchI
InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2
InchI Key
HECLRDQVFMWTQS-UHFFFAOYSA-N
SMILES
C1=CC2C(C1)C1C=CC2C1
Canonical SMILES
C1C=CC2C1C3CC2C=C3
Isomeric SMILES
C1C=CC2C1C3CC2C=C3
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H12
Heavy Atom Count
10
Molecular Weight
132.206
Exact Molecular Weight
132.0939
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
2.3846
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
3
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
3
Aromatic Rings
0

MOL File


     RDKit          3D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.2880   -0.3231    0.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8223    0.6324   -0.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4902    0.3422   -0.9177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976   -0.9569   -0.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3087   -1.4307    0.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0505   -0.5771    0.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2061   -0.2784   -0.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8666    0.8036   -0.9572 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5646    1.3085   -0.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6899    0.8762    1.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2524   -0.3308    0.9055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3859    1.5416   -0.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5519    0.2136   -1.9966 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2252   -1.6615   -1.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1393   -1.7620    1.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7431   -2.2861   -0.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2964   -1.1864    1.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0868   -0.8886   -0.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4426    1.2413   -1.7483 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3676    2.3454   -0.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2523    0.9537    1.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5354    1.4230    1.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  5  1  1  0
 10  6  1  0
  9  3  1  0
  1 11  1  0
  2 12  1  0
  3 13  1  0
  4 14  1  0
  5 15  1  0
  5 16  1  0
  6 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
 10 21  1  0
 10 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers