Monomers

3-Methylstyrene

Identifiers

IUPAC name
1-ethenyl-3-methylbenzene
InchI
InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
JZHGRUMIRATHIU-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)C=C
Isomeric SMILES
CC1=CC(=CC=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
    3.3198   -0.3575   -0.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1273   -0.8911   -0.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8964   -0.1467   -0.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9055    1.2284   -0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3131    1.8765   -0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4940    1.1893    0.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138   -0.1914    0.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029   -0.8270    0.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7897   -0.9257    0.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2046   -1.0049   -0.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4532    0.7046   -0.4638 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0656   -1.9826   -0.1634 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8003    1.8242   -0.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3179    2.9581   -0.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4575    1.6986    0.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3175   -1.9233    0.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1839   -1.1492   -0.6176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5961   -1.8428    0.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4864   -0.2373    0.9304 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
  7  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
  6 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