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
    3.4359   -0.0485   -0.3708 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5565    0.2626    0.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1305    0.1309    0.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2215    0.4790    1.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1334    0.3735    1.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6842   -0.0709   -0.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7999   -0.4121   -1.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5683   -0.3097   -0.8781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1449   -0.1948   -0.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5259    0.0539   -0.1690 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1049   -0.4073   -1.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9388    0.6200    1.4976 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6428    0.8319    2.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8244    0.6514    1.9283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2269   -0.7647   -1.9945 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2089   -0.5912   -1.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4608    0.5257   -1.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3689   -1.2242   -0.6213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6906    0.0945    0.6273 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