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
    3.4125    0.6257   -0.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5384   -0.2148   -0.7207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1030   -0.1456   -0.4471 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5202    0.7945    0.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8432    0.8522    0.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6541   -0.0810    0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0964   -1.0371   -0.7987 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2573   -1.0718   -1.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1345   -0.0568    0.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1225    1.4346    0.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4597    0.4922   -0.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9065   -0.9909   -1.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1449    1.5366    0.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2553    1.6288    1.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7468   -1.7603   -1.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7011   -1.8238   -1.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4710   -1.1099    0.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3717    0.4759    1.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5931    0.4515   -0.5834 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