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
   -0.0580    0.2261    3.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7235   -0.3546    2.4946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3748   -0.1921    1.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6776    0.5804    0.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9771    0.7074   -0.7006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2324    0.0653   -1.6653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8189   -0.7054   -1.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1263   -0.8417    0.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5508    0.2006   -3.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7882    0.8609    3.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3520    0.0780    4.4742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5673   -0.9816    2.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2845    1.0984    1.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8060    1.3187   -1.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3925   -1.2030   -1.9992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9635   -1.4582    0.4278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069   -0.0059   -3.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0391    1.1775   -3.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3277   -0.5708   -3.3282 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