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
   -3.2817   -0.6917   -0.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0566   -1.1420   -0.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9056   -0.2679   -0.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9919    1.0742    0.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1369    1.8799    0.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3826    1.3206    0.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4941   -0.0186   -0.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3798   -0.8081   -0.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8803   -0.5724   -0.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4968    0.3257   -0.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0943   -1.3811   -0.3963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8586   -2.2128   -0.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9813    1.5486    0.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0127    2.9280    0.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2618    1.9647    0.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4903   -1.8620   -0.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3961   -0.1052   -1.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7995   -1.6804   -0.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4580   -0.2993    0.6996 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