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
   -3.3273   -0.5703   -0.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5228    0.4209   -0.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1185    0.2643   -0.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4945   -0.9594   -0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8704   -1.1058    0.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6462    0.0008    0.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0303    1.2324    0.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3206    1.3711    0.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1131   -0.1414    0.5836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4006   -0.4045   -0.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0431   -1.5998   -0.7622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9600    1.4332   -0.4163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0647   -1.8310   -0.4057 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3615   -2.0692    0.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6604    2.1084    0.5481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7961    2.3527    0.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    0.7697    0.2671 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4870   -1.0217    0.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2420   -0.2504    1.6674 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