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
   -3.3791    0.6788   -0.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5794   -0.2653    0.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1172   -0.1905    0.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4697    0.9047   -0.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9248    0.9146   -0.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6704   -0.1295    0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0321   -1.2343    0.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3374   -1.2401    0.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1507   -0.0088   -0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4454    0.5413   -0.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0299    1.5960   -0.7075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0215   -1.1834    0.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0381    1.7291   -0.7937 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3865    1.7978   -0.8552 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6452   -2.0424    0.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8503   -2.0892    0.9780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4075    0.2860   -1.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4368    0.8751    0.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6141   -0.9399    0.2902 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