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
    3.3554    0.7560    0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5674   -0.1939   -0.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -0.1243   -0.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4501    0.9275    0.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9187    0.9335    0.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6612   -0.1253    0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9943   -1.1821   -0.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3699   -1.2099   -0.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1472   -0.1236    0.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9693    1.6332    0.5450 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4183    0.6709   -0.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9952   -1.0660   -0.7798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0268    1.7926    0.7928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4153    1.7851    1.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5394   -2.0406   -0.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8713   -2.0415   -1.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4562   -1.0991    0.6277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5726   -0.0257   -0.8037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    0.7334    0.8389 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