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
   -2.0642    1.8021    1.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9317    0.6567    0.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6629    0.1351    0.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5023    0.8435    0.3658 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7228    0.3496   -0.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9869    1.1237    0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7060   -0.8698   -0.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5435   -1.5817   -0.9275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6577   -1.0998   -0.4865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9412   -1.8288   -0.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2225    2.4302    1.4735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0274    2.1558    1.6063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8473    0.0595    0.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5501    1.8024    0.8673 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2913    1.6558   -0.7816 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8484    1.8358    0.9572 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8129    0.4401    0.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6346   -1.2735   -1.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5384   -2.5515   -1.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6894   -1.1903   -1.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7135   -2.7512   -1.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3796   -2.1434    0.2820 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