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
    3.4534   -0.0094    0.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4677    0.8153    0.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0733    0.4248    0.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0579    1.3468    0.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2633    1.0140    0.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6696   -0.2408   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6537   -1.1375   -0.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6782   -0.8209   -0.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0932   -0.6171   -0.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2890   -1.0224   -0.0936 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4999    0.2665    0.3607 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7081    1.8155    0.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3809    2.3345    0.8936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0052    1.7722    0.6352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9675   -2.1428   -0.5921 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4273   -1.5958   -0.3384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6314    0.1479   -0.7822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6211   -0.7714    0.7815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1305   -1.5795   -0.7193 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