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
    3.4639    0.1176    0.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4816   -0.7346    0.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0685   -0.3819    0.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6278    0.8915   -0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7328    1.1619   -0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6479    0.1640    0.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2271   -1.1138    0.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1158   -1.3810    0.3448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0961    0.5412    0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2233    1.1493   -0.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5022   -0.2131    0.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7513   -1.7783    0.4231 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3418    1.7217   -0.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0281    2.2016   -0.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9756   -1.8944    0.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4544   -2.3986    0.5194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7347   -0.1913    0.4993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2536    1.5216    0.5245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3345    0.6165   -1.0890 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