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
    2.8047   -1.2070    0.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3633   -0.0327    0.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9679    0.3240    0.3145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5822    1.6165    0.7005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7315    1.9654    0.5542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6681    1.0898    0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3059   -0.1838   -0.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0295   -0.5325   -0.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2923   -1.1597   -0.8959 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1654   -1.9571   -0.2605 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8602   -1.5088    0.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    0.6696    0.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3430    2.2741    1.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0356    2.9598    0.8497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    1.3721   -0.0692 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2763   -1.5539   -0.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2126   -1.1906   -1.9829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3161   -0.7897   -0.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2011   -2.1555   -0.4071 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