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
    3.4167   -0.3844   -0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5570    0.5525    0.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1173    0.2884    0.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5838   -0.9417   -0.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8006   -1.1318   -0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6593   -0.0928    0.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1403    1.1464    0.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2180    1.3302    0.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1473   -0.2759    0.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -1.3763   -0.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4886   -0.1237    0.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8880    1.5437    0.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2281   -1.7662   -0.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1726   -2.1094   -0.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8288    1.9794    0.6572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6080    2.3214    0.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5655    0.1733   -0.8248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5380    0.2050    1.0241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4131   -1.3381    0.1434 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