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
   -3.4179    0.3099   -0.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5762   -0.1103    0.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1386   -0.0791    0.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2647   -0.5337    1.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0961   -0.5143    1.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6815   -0.0530   -0.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8322    0.3960   -1.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5404    0.3787   -0.8698 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1608   -0.0376   -0.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4946    0.2633   -0.1997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1340    0.6961   -1.3685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9387   -0.4897    1.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7113   -0.9041    2.2087 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7608   -0.8679    1.8755 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2883    0.7609   -1.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1627    0.7434   -1.6781 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425   -0.1114    0.7458 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4121    0.9759   -0.6362 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5047   -0.8231   -0.9419 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