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
    3.2768   -0.3389    0.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1629   -0.7564   -0.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9008   -0.1337    0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7521    0.9251    0.9102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5018    1.4862    1.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6387    1.0005    0.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4834   -0.0600   -0.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2512   -0.6148   -0.5645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6511   -0.6533   -1.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3827    0.4701    0.9828 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2323   -0.8318    0.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1949   -1.5862   -0.9601 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6290    1.3296    1.4041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    2.3156    1.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6194    1.4185    0.7414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1431   -1.4574   -1.2572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5170    0.0176   -1.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3260   -0.9040   -2.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8539   -1.6269   -0.5137 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