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
   -2.4237   -1.8624    0.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1918   -0.6356    0.6265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9499    0.0758    0.4013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8002    1.3975    0.8401 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3503    2.1116    0.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3795    1.4647   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2590    0.1670   -0.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0801   -0.5553   -0.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3580   -0.5307   -1.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3923   -2.3137    0.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7142   -2.4782   -0.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9869   -0.0863    1.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6319    1.8861    1.3547 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4445    3.1312    0.9991 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2959    2.0260   -0.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0188   -1.5911   -0.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7621   -1.2857   -0.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9594   -1.0519   -2.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1835    0.1309   -1.4288 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