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
    3.3525   -0.2529   -0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1980   -0.8509   -0.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9301   -0.1606   -0.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8405    1.1739    0.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3741    1.8359    0.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5317    1.1081    0.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4925   -0.2341   -0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2788   -0.8489   -0.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7917   -0.9320   -0.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4324    0.7765    0.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2529   -0.8225   -0.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1327   -1.9145   -0.4953 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7386    1.7718    0.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3455    2.8741    0.7124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4692    1.6503    0.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2581   -1.9034   -0.4808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3217   -0.4919   -1.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4043   -0.7735    0.6918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6099   -2.0054   -0.3739 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