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
   -3.4305   -0.0747    0.4672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5637   -0.3368   -0.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1323   -0.1706   -0.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5543    0.2774    0.8839 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8280    0.4329    1.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6730    0.1286    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1081   -0.3209   -1.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2449   -0.4758   -1.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1609    0.2754    0.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1186    0.2842    1.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5005   -0.2111    0.2966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9173   -0.7021   -1.4214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1926    0.5315    1.7358 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2420    0.7905    1.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7858   -0.5652   -1.9859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6945   -0.8311   -2.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5540    0.5368   -0.8861 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5914   -0.6862    0.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4061    1.1171    0.7828 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