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
    2.8244   -1.2512    0.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4124   -0.0697   -0.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0107    0.3091   -0.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6320    1.5942   -0.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6891    1.9687   -0.6375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6638    1.0908   -0.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3366   -0.1753    0.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0151   -0.5418    0.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3792   -1.1246    0.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9013   -1.5136    0.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1383   -2.0139    0.5022 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1511    0.6375   -0.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4205    2.2803   -0.9816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9512    2.9838   -0.9782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7113    1.4269   -0.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2264   -1.5432    0.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1655   -0.5558    1.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9611   -1.9211    1.3177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8743   -1.5811   -0.2229 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