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
   -2.8200   -1.2365    0.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3754   -0.1496   -0.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9842    0.2201   -0.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    1.4130   -0.9585 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7208    1.8450   -0.9457 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6653    1.0803   -0.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3419   -0.0991    0.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0023   -0.4967    0.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3525   -0.9388    1.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1555   -1.8843    0.6774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8618   -1.5354    0.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0847    0.4810   -0.9190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3713    1.9972   -1.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9908    2.7800   -1.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6951    1.4143   -0.2833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2734   -1.4194    0.7889 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2487   -1.1171    0.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6193   -0.4275    1.9835 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8818   -1.9266    1.2547 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