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
    3.4126   -0.4889    0.2988 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5530    0.4769    0.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1131    0.2898   -0.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5721   -0.9445    0.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -1.0872    0.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6508   -0.0240   -0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1048    1.2218   -0.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2534    1.3478   -0.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1260   -0.2273   -0.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4942   -0.2630    0.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0817   -1.4850    0.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9889    1.4787   -0.1309 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1319   -1.8275    0.4136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2651   -2.0556    0.2943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759    2.0379   -0.5743 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6790    2.3205   -0.4621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4955   -0.7453    0.7104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6344    0.7542   -0.2635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4066   -0.7793   -1.1282 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