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
   -2.3503   -1.8874    0.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0561   -0.6145    0.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6898   -0.1167    0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567   -0.9997    0.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6588   -0.4820    0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8207   -1.4257    0.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8784    0.8729   -0.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103    1.7556   -0.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4612    1.2588   -0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6449    2.1461   -0.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6183   -2.6863    0.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4200   -2.1576    0.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9061    0.0930    0.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2551   -2.0708    0.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6948   -0.9038   -0.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5495   -2.3424   -0.4943 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0264   -1.5998    1.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8892    1.2550   -0.1983 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9949    2.8119   -0.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3384    1.9550    0.6795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1492    1.9578   -1.1311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3004    3.1805   -0.0956 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