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
   -3.4167   -0.0841    0.7615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6173   -0.0798   -0.2759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1496   -0.0369   -0.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3745   -0.0352   -1.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0028    0.0046   -1.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6878    0.0448   -0.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9234    0.0433    1.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4651    0.0032    1.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1789    0.0878   -0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4809   -0.1169    0.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0377   -0.0559    1.7669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0407   -0.1092   -1.2735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8769   -0.0660   -2.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6199    0.0063   -2.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4595    0.0748    1.9965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0405    0.0031    1.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5421    0.6614   -0.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5458    0.6088    0.8625 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5398   -0.9541   -0.0783 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