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
    2.9319   -0.9214    0.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4010    0.2276   -0.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9506    0.4398   -0.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4621    1.6911   -0.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9004    1.9603   -0.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7979    0.9327   -0.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2900   -0.3203    0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0664   -0.5767    0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2492   -1.4302    0.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0126   -1.0189    0.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3775   -1.8179    0.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0844    1.0574   -0.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1664    2.4791   -0.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2679    2.9544   -0.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8756    1.0835   -0.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3830   -1.5737    0.4141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2439   -1.2511   -0.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3896   -1.5352    1.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8214   -2.3805    0.0207 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