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
    3.4154    0.1083   -0.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5627    0.4527    0.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1389    0.2283    0.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2882    0.6250    1.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0756    0.4433    1.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6791   -0.1560    0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8658   -0.5578   -0.9366 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5232   -0.3698   -0.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1445   -0.3771    0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4784    0.2815   -0.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0858   -0.3695   -1.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9448    0.9305    1.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7541    1.1040    2.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7247    0.7547    1.9838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3023   -1.0321   -1.8046 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1330   -0.7037   -1.7382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7257    0.4613    0.4399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3954   -1.3467    0.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4113   -0.4768   -1.0639 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