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
    2.8099   -1.0637    0.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3974    0.0038   -0.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9825    0.3103   -0.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6342    1.4967   -0.8950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6879    1.7877   -1.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6457    0.9491   -0.4807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3196   -0.2163    0.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0179   -0.5206    0.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3821   -1.1166    0.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1445   -1.7698    0.9262 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625   -1.2817    0.5702 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1246    0.6787   -0.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4264    2.1206   -1.2893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9959    2.7056   -1.5227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7153    1.1847   -0.5707 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2437   -1.4480    0.8216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9009   -1.8983    1.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0286   -0.4435    1.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9675   -1.4787   -0.1058 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