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
   -2.6878    0.3664    2.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4277    0.4267    0.8734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0781    0.1932    0.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8612    0.2723   -1.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3559    0.0711   -1.6224 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4443   -0.2279   -0.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2539   -0.3112    0.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0023   -0.1035    1.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750   -0.4484   -1.4566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9534    0.1447    2.9061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6908    0.5409    2.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2439    0.6592    0.1815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7389    0.5108   -1.6531 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4884    0.1410   -2.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929   -0.5447    1.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1134   -0.1765    2.2091 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9029   -1.5405   -1.6423 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5798   -0.1396   -0.7485 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8998    0.1660   -2.3590 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