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
    2.8143   -0.9617    0.6537 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2814    0.2336    0.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9055    0.4464    0.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4229    1.7594    0.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8842    1.9716    0.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6946    0.9432   -0.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2478   -0.3538   -0.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0800   -0.5693   -0.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1202   -1.4651   -0.8975 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8755   -1.1021    0.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2992   -1.8540    0.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9020    1.0527    1.0479 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0745    2.5508    0.7814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2556    3.0026    0.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7351    1.1438   -0.6023 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4203   -1.5889   -0.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5806   -2.1751   -1.5528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5707   -2.0020   -0.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9868   -1.0322   -1.4468 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