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
    3.3154   -0.6575   -0.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0982   -1.0867   -0.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8992   -0.2452   -0.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9766    1.0986    0.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1893    1.8737    0.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4344    1.3272   -0.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5155   -0.0220   -0.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3643   -0.7787   -0.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8578   -0.6182   -0.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498   -1.3255   -0.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4908    0.3750    0.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9869   -2.1637   -0.4866 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9173    1.5987    0.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1066    2.9381    0.3341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3434    1.9264   -0.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4418   -1.8348   -0.6253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3022   -0.2632   -1.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5204   -0.4127    0.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7585   -1.7296   -0.6496 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