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
    3.4266    0.2400    0.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4915   -0.6594    0.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0736   -0.3518    0.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1248   -1.3450    0.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2155   -1.0892    0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6568    0.1700   -0.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7160    1.1633   -0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6376    0.9022    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1024    0.3968   -0.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4520   -0.0387    0.7091 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2710    1.2766    0.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -1.6830    0.8665 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4612   -2.3568    0.7252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9158   -1.8918    0.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0101    2.1736   -0.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3238    1.7121   -0.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2849    1.3437   -0.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5848    0.5157    0.6429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5300   -0.4783   -0.8759 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