Monomers

2,5-Dimethylstyrene

Identifiers

IUPAC name
2-ethenyl-1,4-dimethylbenzene
InchI
InChI=1S/C10H12/c1-4-10-7-8(2)5-6-9(10)3/h4-7H,1H2,2-3H3
InchI Key
DBWWINQJTZYDFK-UHFFFAOYSA-N
SMILES
C=Cc1cc(C)ccc1C
Canonical SMILES
CC1=CC(=C(C=C1)C)C=C
Isomeric SMILES
CC1=CC(=C(C=C1)C)C=C
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
2.9464
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 22 22  0  0  0  0  0  0  0  0999 V2000
   -1.4260    2.6672    0.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6590    1.3851    0.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6033    0.3974    0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7349    0.7192    0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7541   -0.2251    0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1934    0.1860    0.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3998   -1.5509   -0.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0616   -1.8903   -0.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9446   -0.9521   -0.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3829   -1.3191   -0.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2734    3.3610    0.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4267    3.0644    0.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6947    1.0551    0.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0680    1.7442    0.1665 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6682   -0.2094    0.9886 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2245    1.2925    0.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7443   -0.1873   -0.8040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1547   -2.3433   -0.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2525   -2.9274   -0.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8973   -1.1527    0.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9259   -0.7281   -0.9261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5173   -2.3866   -0.4124 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  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9  3  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  4 14  1  0
  6 15  1  0
  6 16  1  0
  6 17  1  0
  7 18  1  0
  8 19  1  0
 10 20  1  0
 10 21  1  0
 10 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers