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
    3.3093   -0.8440   -0.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5888    0.1684    0.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1516    0.1484    0.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4108   -0.9331   -0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9724   -0.9270   -0.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6399    0.1801    0.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9229    1.2619    0.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4515    1.2686    0.6672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1461    0.1681    0.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4037   -0.8108   -0.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8925   -1.7653   -0.5830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1234    1.0574    0.5455 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -1.8466   -0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5508   -1.7665   -0.5220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5059    2.1174    1.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0013    2.1445    1.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4744   -0.3215   -0.6819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5414    1.2004    0.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4790   -0.5005    1.0904 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