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
   -3.4379   -0.3541   -0.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5894    0.4556    0.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1534    0.2428    0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5368   -0.8033   -0.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8505   -0.9613   -0.5763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6798   -0.0544    0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0859    1.0043    0.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2815    1.1493    0.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1587   -0.2263    0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0971   -1.2126   -0.9178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4926   -0.1661   -0.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9668    1.3124    0.7149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483   -1.5347   -1.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3066   -1.7976   -1.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7133    1.7376    1.2037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7567    1.9872    1.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5831    0.0958   -0.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4504   -1.2950    0.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6322    0.4204    0.7679 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