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
   -2.7217    1.5946   -0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3975    0.3227   -0.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0485   -0.2058   -0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8353   -1.5866   -0.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342   -2.1112   -0.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5485   -1.3135   -0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3518    0.0484   -0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0737    0.5834   -0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5545    0.9068    0.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9477    2.3374   -0.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7356    1.9616   -0.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2279   -0.3746   -0.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7226   -2.2036   -0.3029 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5343   -3.1818   -0.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5424   -1.7513   -0.0806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0619    1.6507    0.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4451    0.3742   -0.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8016    1.0554    1.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4127    1.8934   -0.3998 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