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
    2.6594   -1.6783   -0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3998   -0.4021   -0.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0524    0.1741   -0.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690    1.5448   -0.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3726    2.1388   -0.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5073    1.3538   -0.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3316   -0.0110   -0.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0790   -0.6074   -0.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5748   -0.8509   -0.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483   -2.3787   -0.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6660   -2.0383    0.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2411    0.3004   -0.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7612    2.1591   -0.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4818    3.2221   -0.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4910    1.8023   -0.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0330   -1.6681   -0.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1282   -0.6321    0.6403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1932   -0.5147   -1.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3048   -1.9137   -0.3862 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