Monomers

4-Methylstyrene

Identifiers

IUPAC name
1-ethenyl-4-methylbenzene
InchI
InChI=1S/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3
InchI Key
JLBJTVDPSNHSKJ-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)C
Canonical SMILES
CC1=CC=C(C=C1)C=C
Isomeric SMILES
CC1=CC=C(C=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10
Heavy Atom Count
9
Molecular Weight
118.179
Exact Molecular Weight
118.0783
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.638
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

 19 19  0  0  0  0  0  0  0  0999 V2000
   -3.3580    0.1141   -0.6624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5259    0.4545    0.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0775    0.2368    0.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5493   -0.3436   -0.8879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8405   -0.5368   -0.9277 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6398   -0.1494    0.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1118    0.4397    1.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2562    0.6232    1.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1069   -0.4046   -0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0988   -0.3500   -1.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4232    0.3077   -0.5338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9495    0.9175    1.1825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1240   -0.6720   -1.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2779   -1.0030   -1.8153 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7568    0.7370    2.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7273    1.0760    2.1281 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6887   -0.0166    0.8094 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4128    0.0595   -1.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2543   -1.4901   -0.1592 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  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  8  3  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  4 13  1  0
  5 14  1  0
  7 15  1  0
  8 16  1  0
  9 17  1  0
  9 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers