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
    3.4187    0.1817   -0.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5198   -0.6491    0.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1001   -0.3461    0.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1926   -1.2826    0.7025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1614   -1.0402    0.7962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6440    0.1817    0.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7978    1.1403   -0.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5624    0.8414   -0.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1082    0.4598    0.4621 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1631    1.1460   -0.7087 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4638   -0.0912   -0.3896 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8473   -1.6373    0.4699 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6126   -2.2269    1.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8069   -1.8157    1.2037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1431    2.1070   -0.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    1.6004   -0.6157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5408    0.1100   -0.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5587   -0.2033    1.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3281    1.5241    0.6146 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