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
    2.8924   -0.8947    0.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750    0.1479   -0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9728    0.4035   -0.2229 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5561    1.5329   -0.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7990    1.7315   -1.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7357    0.8561   -0.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3387   -0.2767    0.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0238   -0.4729    0.2818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3343   -1.2349    0.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9681   -1.0200    0.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3111   -1.6816    1.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0871    0.8754   -0.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2841    2.2500   -1.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1326    2.6279   -1.5699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8079    1.0150   -0.6402 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3293   -1.3757    0.8205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005   -1.0024    1.7695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8726   -2.2561    0.6332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2786   -1.2252    0.1120 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