Monomers

3-Methylstyrene

Identifiers

IUPAC name
1-ethenyl-3-methylbenzene
InchI
InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
JZHGRUMIRATHIU-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)C=C
Isomeric SMILES
CC1=CC(=CC=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
    3.0762   -1.0223   -0.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9727   -1.2673   -0.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8461   -0.3417   -0.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8681    0.8869   -0.8535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2134    1.7397   -0.7743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3635    1.4024   -0.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3960    0.1783    0.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3042   -0.6481    0.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6126   -0.2001    1.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8695   -1.7628   -0.9295 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2404   -0.1166   -1.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8470   -2.2183    0.2571 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7094    1.2114   -1.4157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1891    2.7027   -1.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2153    2.0666    0.0064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3635   -1.6007    0.9892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2033    0.6669    1.6486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2375   -0.8257    0.6912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3307   -0.8512    2.2180 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
  7  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
  6 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