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
    3.4473   -0.4097    0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5253    0.5069    0.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1050    0.2666   -0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2259    1.3181    0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1473    1.1694   -0.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6714   -0.0636   -0.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8013   -1.1125   -0.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5767   -0.9599   -0.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1467   -0.2294   -0.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2049   -1.4312   -0.1659 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4813   -0.1579    0.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8577    1.5321    0.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6104    2.3200    0.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8013    2.0097    0.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2013   -2.0836   -0.6764 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2367   -1.8061   -0.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3681   -1.3009   -0.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6105    0.0823    0.4837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5234    0.3496   -1.3457 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