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
    2.6360    1.5219    0.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3801    0.2484    0.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0110   -0.2366    0.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7933   -1.6154    0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4819   -2.0979    0.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5682   -1.2823   -0.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3239    0.0676   -0.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0456    0.6045   -0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4579    0.9879   -0.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9077    2.2565    0.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6633    1.8411    0.3757 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1579   -0.4889    0.5369 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6462   -2.2603    0.4873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6427   -3.1777    0.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5740   -1.7071   -0.2141 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0924    1.6891   -0.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0384    1.2256    0.4259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0948    0.4843   -1.2393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0605    1.9391   -0.8827 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