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
    3.4242   -0.3425   -0.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5711    0.4318    0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1337    0.2329    0.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3088    1.1141    0.7854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0564    0.9628    0.7835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6723   -0.0452    0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8658   -0.9264   -0.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4929   -0.7698   -0.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1475   -0.1955    0.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0674   -1.1720   -1.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4866   -0.1702   -0.4836 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9695    1.2798    0.6948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7575    1.9293    1.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6460    1.6716    1.3475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3254   -1.7466   -1.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0904   -1.4681   -1.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6087    0.7840    0.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4791   -0.9476    0.8711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5008   -0.6226   -0.8762 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