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
    2.8187    1.3299    0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4066    0.0862   -0.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0291   -0.2841   -0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7081   -1.6262   -0.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5909   -2.0734   -0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6155   -1.1546   -0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3296    0.1893    0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0166    0.6002    0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4632    1.1595    0.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    2.1187    0.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8857    1.5640    0.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1833   -0.6878   -0.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4855   -2.3931   -0.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8439   -3.1394   -0.1968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6590   -1.4980   -0.0551 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1570    1.6624    0.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0536    2.1682   -0.0762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9480    1.1261    1.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2331    0.8522   -0.6180 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