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
   -3.3827    0.4856   -0.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5544   -0.4828    0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1143   -0.2964    0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2799   -1.3615    0.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0723   -1.1729    0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6809    0.0187    0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8545    1.0674   -0.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5353    0.9138   -0.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1574    0.2014    0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4725    0.3336   -0.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0906    1.4798   -0.5753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9337   -1.4552    0.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7666   -2.2879    0.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7303   -1.9852    0.6680 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2858    2.0100   -0.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1232    1.7613   -0.5868 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6050   -0.7521    0.4104 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5113    0.4901   -0.9538 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3558    1.0322    0.7902 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