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
   -3.3892    0.4768    0.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5851   -0.3928   -0.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1405   -0.2200   -0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4962    0.8341    0.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9011    0.9531    0.5275 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6769    0.0109   -0.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0443   -1.0482   -0.6787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3202   -1.1773   -0.6865 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1589    0.0960   -0.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0586    1.3544    0.9696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4728    0.3421    0.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0238   -1.2518   -0.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0990    1.6028    1.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3573    1.8213    1.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6708   -1.8106   -1.1673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8182   -2.0073   -1.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6152   -0.8902    0.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5413    0.8154    0.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4379    0.4916   -1.1001 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