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
   -3.4541    0.1539   -0.3677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5288   -0.6317    0.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1091   -0.3158    0.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5799    0.8006   -0.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    1.0771   -0.5377 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6674    0.1828    0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1474   -0.9547    0.6323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2048   -1.2126    0.6662 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1379    0.3993    0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5027   -0.1127   -0.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1977    1.0792   -0.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8638   -1.5420    0.6328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2381    1.5146   -0.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1715    1.9741   -1.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8527   -1.6585    1.0854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6044   -2.1014    1.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6826   -0.5785    0.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4648    1.0006    0.9149 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3675    0.9258   -0.9271 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