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
    3.4016   -0.0705    0.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4204    0.7902    0.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0486    0.4351    0.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6819   -0.8631   -0.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6560   -1.2028   -0.3084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6381   -0.2439   -0.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2479    1.0543   -0.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    1.4174    0.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0516   -0.6226   -0.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4350    0.2551    0.5988 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -1.1300    0.2892 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6689    1.8558    0.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3999   -1.6590   -0.0434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9016   -2.2453   -0.4464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0060    1.8183   -0.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3533    2.4502    0.1979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1996   -1.7012   -0.4934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7392   -0.0829    0.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3026   -0.2550   -1.6364 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