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
    3.4115    0.4826    0.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5812   -0.2695   -0.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1323   -0.1728   -0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5157    0.7067    0.6595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    0.7987    0.7752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6494   -0.0345    0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0728   -0.9365   -0.8593 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2978   -0.9913   -0.9395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    0.0289    0.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0612    1.2197    1.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4708    0.3904    0.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0281   -0.9937   -0.9984 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0790    1.3804    1.2841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3098    1.5141    1.4599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7173   -1.5918   -1.4648 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7760   -1.6891   -1.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6046   -0.1252   -0.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4597    1.0327    0.4374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5314   -0.7498    0.7855 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