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
    3.4003   -0.6343    0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6100    0.3221   -0.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1519    0.1820   -0.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3353    1.2353   -0.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0345    1.1591   -0.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6832    0.0363   -0.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8883   -1.0049    0.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5090   -0.9374    0.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1585   -0.0109   -0.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4671   -0.5157    0.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0087   -1.5522    0.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0502    1.2442   -0.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8535    2.1170   -1.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6590    1.9974   -0.9163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3916   -1.8873    0.6647 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0646   -1.7872    0.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5301   -0.3995   -1.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5545    1.0213    0.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5507   -0.5854    0.7738 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