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
   -1.9939    2.0389    1.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9350    0.8296    0.5475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6650    0.2254    0.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5262    0.8720    0.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7124    0.2686   -0.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0324    0.9117    0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6555   -1.0050   -0.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4647   -1.6769   -0.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6944   -1.0564   -0.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0103   -1.7342   -0.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1203    2.6391    1.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9569    2.4680    1.3363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8780    0.3031    0.4255 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6050    1.8692    0.7147 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0082    1.8433    0.6595 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7448    0.1567    0.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3869    1.1254   -0.9865 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5803   -1.4962   -0.8885 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4831   -2.6797   -1.1617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7597   -1.1333   -1.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3244   -2.0959    0.4949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8619   -2.6735   -1.1170 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