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
    3.3090   -0.6266    0.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0779   -1.0289    0.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8918   -0.2168   -0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9467    1.0957   -0.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1861    1.8619   -0.7231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4328    1.2967   -0.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5042   -0.0178   -0.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3730   -0.7532    0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8352   -0.6433    0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5149    0.3851   -0.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1130   -1.3243    0.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8777   -2.0636    0.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9243    1.5462   -0.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0838    2.9077   -1.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3148    1.9007   -0.7607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4818   -1.7753    0.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8820   -1.2042    1.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6444    0.0885   -0.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9172   -1.4285   -0.7629 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