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
   -1.8563    2.2748   -0.7222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8830    0.9825   -0.4827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6473    0.2878   -0.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5827    0.8602   -0.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7285    0.1398    0.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0406    0.8200    0.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6075   -1.2106    0.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3804   -1.8366    0.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7270   -1.0906    0.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0586   -1.7813    0.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9911    2.9100   -0.7053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7938    2.8111   -0.9716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8129    0.4303   -0.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6676    1.9356   -0.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9092    1.8955    0.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    0.6562    1.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7717    0.4369   -0.4122 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4662   -1.8179    0.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2748   -2.9154    0.5974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7653   -1.2215    0.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4359   -1.7368   -1.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9530   -2.8300    0.3323 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