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
    3.4560    0.2334   -0.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4142    0.4134   -1.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0416    0.2049   -0.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0286    0.4087   -1.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3377    0.2206   -1.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6478   -0.1858    0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5996   -0.3960    1.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7263   -0.2027    0.6459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0453   -0.3989    0.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4577    0.4083   -0.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4450   -0.0816    0.7152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5567    0.7377   -2.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2216    0.7325   -2.5031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1509    0.3874   -1.7805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7851   -0.7189    2.0767 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5451   -0.3699    1.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1849   -1.4555    0.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7784   -0.1728   -0.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3058    0.2351    1.5168 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