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
   -3.3528    0.6470    0.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5461   -0.3825    0.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1175   -0.2265    0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3606   -1.3959   -0.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0069   -1.2861   -0.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6425   -0.0628   -0.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9178    1.1009   -0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4692    0.9739    0.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1220    0.0760   -0.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9966    1.6644    0.2969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4301    0.5344    0.3724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0126   -1.3661    0.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8609   -2.3481   -0.1396 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6043   -2.1827   -0.3705 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3931    2.0783   -0.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0169    1.8963    0.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5773   -0.9166   -0.4430 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3976    0.6216   -1.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5022    0.5746    0.5208 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