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
    3.4697    0.1284    0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4959   -0.5728    0.5247 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0802   -0.3005    0.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6233    0.7645   -0.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7426    0.9975   -0.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6406    0.1590    0.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2101   -0.9149    0.8419 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -1.1362    0.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0964    0.3895   -0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5106   -0.1418    0.1792 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2546    0.9968   -0.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7780   -1.4473    1.1362 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3166    1.4297   -0.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0757    1.8503   -1.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9513   -1.5705    1.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4795   -1.9888    1.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3623    1.4601   -0.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4128   -0.0005   -1.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6585   -0.1026    0.7872 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