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
   -3.4075    0.4066   -0.1843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5377   -0.5376    0.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1147   -0.2983    0.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2534   -1.3667    0.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1099   -1.2265    0.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6752    0.0022    0.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8391    1.0708    0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5296    0.9338   -0.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    0.2753    0.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1651    1.4498   -0.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4911    0.2108   -0.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9203   -1.5377    0.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6537   -2.3584    0.5302 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7726   -2.0678    0.6629 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    2.0673   -0.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1692    1.7792   -0.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7278   -0.5748    0.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4761    0.5888   -0.6892 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2567    1.1831    0.9680 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