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
    3.4264    0.1828    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5087   -0.7327    0.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0990   -0.3792    0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1428   -1.4004    0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1934   -1.1117    0.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6536    0.1818   -0.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7353    1.2016   -0.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6302    0.8962   -0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1241    0.4656   -0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2680    1.2452   -0.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5002   -0.0827    0.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -1.7665    0.2004 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4521   -2.4300    0.2147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9569   -1.9142    0.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    2.2355   -0.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276    1.7171   -0.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4372    1.1469    0.7062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3281    1.0322   -1.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6599   -0.4876   -0.1216 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