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
   -3.3463   -0.8185    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6015    0.2332    0.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1569    0.1646    0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3782    1.3274    0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9810    1.3498    0.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6638    0.1579   -0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9534   -1.0162   -0.1208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4524   -1.0083   -0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1468    0.0758   -0.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9279   -1.7932   -0.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4199   -0.7190    0.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0607    1.2129    0.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9262    2.2538    0.2447 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5348    2.2863    0.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4076   -1.9826   -0.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9797   -1.9618   -0.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4668   -0.4756   -0.9700 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5599   -0.3863    0.8753 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5356    1.0999   -0.1574 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