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
   -3.4090    0.4652    0.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5585   -0.4608   -0.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1356   -0.2524   -0.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2487   -1.2703   -0.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1148   -1.1480   -0.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6703    0.0293    0.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8320    1.0516    0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5384    0.9090    0.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1661    0.1791    0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    1.4299    0.4796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4990    0.3121    0.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9206   -1.4084   -0.5799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7105   -2.1969   -0.8329 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7615   -1.9777   -0.7034 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2945    1.9605    0.7628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1871    1.7422    0.6335 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4171    1.1615    0.5295 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5249   -0.6320    0.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5512    0.1061   -0.9208 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