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
    3.3065   -0.6056    0.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0822   -1.0612    0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8971   -0.2229    0.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9808    1.1417    0.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1993    1.9000    0.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4485    1.3336    0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5302   -0.0306   -0.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3793   -0.7892   -0.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8604   -0.7168   -0.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5202    0.4412    0.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1618   -1.2701    0.1817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9627   -2.1589   -0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9348    1.6416    0.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1020    2.9793    0.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3306    1.9497    0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3985   -1.8824   -0.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5234   -0.3621    0.6262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3506   -0.4945   -1.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7231   -1.7929   -0.1060 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