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
   -1.8495   -2.3464   -0.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8565   -1.0379   -0.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6403   -0.3191   -0.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5878   -0.8920    0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7052   -0.1133    0.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0260   -0.7801    0.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5910    1.2508    0.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3636    1.8572    0.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7325    1.0721   -0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0551    1.7195   -0.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7749   -2.8896   -0.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9571   -2.9313   -0.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8088   -0.5386   -0.6071 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7131   -1.9423   -0.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2470   -0.8620    1.5889 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8057   -0.1107    0.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0769   -1.7257   -0.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4390    1.8743    0.7103 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2593    2.9437    0.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7240    1.5666    0.6537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5177    1.3952   -1.1787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8979    2.8097   -0.3194 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