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
    3.2987   -0.6463   -0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0679   -1.0680   -0.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8882   -0.2356    0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9811    1.0481    0.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1740    1.8122    0.7393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3886    1.2472    0.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5221   -0.0510    0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3785   -0.7834   -0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8768   -0.5702   -0.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1133   -1.3486   -0.2416 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544    0.3342    0.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9424   -2.0865   -0.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9588    1.4748    0.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0092    2.8086    1.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2688    1.8737    0.6927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4603   -1.7899   -0.5477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2849   -0.1068   -1.0958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9139   -1.6696   -0.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5277   -0.2428    0.6665 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