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
    3.3828    0.3828   -0.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5745   -0.2962    0.4592 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1291   -0.1677    0.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3140   -0.9323    1.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0567   -0.8385    1.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6738    0.0008    0.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8838    0.7473   -0.5966 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4801    0.6582   -0.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1457    0.0999    0.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0147    1.0694   -1.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4728    0.2591   -0.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9847   -0.9814    1.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8052   -1.5924    1.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6252   -1.4638    1.8287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3260    1.4383   -1.3388 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936    1.2781   -1.2208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4348    0.7895   -0.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5824   -0.8932   -0.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5230    0.4423    1.1572 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