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
    2.9467   -1.1246   -0.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3891   -0.0302    0.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9741    0.2927    0.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5221    1.4925    0.8730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8254    1.8463    0.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7449    1.0092    0.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3228   -0.1731   -0.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0224   -0.4978   -0.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2832   -1.1104   -0.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2781   -1.8425   -0.5576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9969   -1.2920    0.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0540    0.6772    0.8905 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2425    2.1511    1.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1609    2.7850    1.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    1.2748    0.1823 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3172   -1.4325   -0.6864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2644   -1.1258   -0.4519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8518   -2.1218   -1.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5065   -0.7779   -2.0156 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