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
   -3.3750   -0.3395   -0.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5449   -0.1087    0.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1163   -0.0309    0.2985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2624    0.2187    1.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0914    0.3032    1.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6523    0.1344    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8236   -0.1134   -1.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5725   -0.2002   -0.9413 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1077    0.2094   -0.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4718   -0.3948   -0.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0181   -0.4826   -1.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9260    0.0327    1.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7171    0.3468    2.3275 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7569    0.5013    2.1004 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2231   -0.2540   -2.0775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1519   -0.3976   -1.8322 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6622    0.6485    0.6206 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4711   -0.8345   -0.3854 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3676    0.7614   -1.1730 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