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
   -3.4605   -0.4617    0.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5696    0.4273   -0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1266    0.2329    0.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2819    1.2538   -0.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0894    1.1387   -0.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6686   -0.0170    0.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8733   -1.0568    0.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5114   -0.9018    0.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1653   -0.1748    0.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5141   -0.2617    0.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1166   -1.4044    0.7178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9248    1.3774   -0.4258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7080    2.1713   -0.7549 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7579    1.9342   -0.6601 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3110   -1.9793    0.9494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1393   -1.7162    0.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4788    0.2414    1.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3713   -1.2523    0.0842 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.4491   -0.5843 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