Monomers

4-Methylstyrene

Identifiers

IUPAC name
1-ethenyl-4-methylbenzene
InchI
InChI=1S/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3
InchI Key
JLBJTVDPSNHSKJ-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)C
Canonical SMILES
CC1=CC=C(C=C1)C=C
Isomeric SMILES
CC1=CC=C(C=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
    3.3738    0.7172    0.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6118   -0.1808   -0.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1584   -0.1356   -0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4335    0.8383    0.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9424    0.8879    0.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6450   -0.1114   -0.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9738   -1.1196   -0.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3985   -1.1272   -0.8626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1437   -0.0865   -0.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250    1.5303    0.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4439    0.6178    0.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0619   -1.0116   -0.8249 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9364    1.6410    0.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5036    1.6594    0.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5631   -1.9042   -1.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9245   -1.9073   -1.3747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083   -1.0241   -0.5724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5633    0.7889   -0.6429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4246   -0.0724    0.9208 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
  6  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
  7 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