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
    3.3121   -0.3905   -0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1255   -0.9203   -0.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9077   -0.1685   -0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9032    1.1748    0.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2845    1.8755    0.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4908    1.2202    0.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5213   -0.1296   -0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3217   -0.7889   -0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7971   -0.8640   -0.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5075    0.6488    0.1683 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2243   -0.9964   -0.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0675   -1.9962   -0.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8129    1.7434    0.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2872    2.9430    0.5947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4470    1.7174    0.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3147   -1.8655   -0.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5912   -1.8926   -0.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3017   -0.9451    0.8108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5033   -0.3655   -0.8571 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