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
    3.3668   -0.5554    0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5332    0.3702    0.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0989    0.2097    0.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5704   -0.8834   -0.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7806   -0.9825   -0.6172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6445    0.0120   -0.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1235    1.1023    0.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2217    1.2010    0.6511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1109   -0.0598   -0.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4323   -0.4040    0.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200   -1.4616   -0.3481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9029    1.2491    1.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2101   -1.7021   -0.7270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2074   -1.8547   -1.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7792    1.9282    0.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6380    2.0557    1.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3528    0.3469   -1.4353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4874   -1.1011   -0.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6079    0.5295    0.3608 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