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
    3.4435   -0.3577   -0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    0.1738    0.5988 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0790    0.0575    0.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1656    0.6540    1.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1728    0.5545    0.9336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6696   -0.1178   -0.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7483   -0.7014   -1.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6102   -0.6234   -0.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1366   -0.2253   -0.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2487   -0.9202   -1.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4966   -0.2412    0.0892 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8205    0.7311    1.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5555    1.1957    2.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8598    1.0287    1.6274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1163   -1.2356   -1.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2988   -1.0897   -1.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858    0.0603    0.5016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4162   -1.2738   -0.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4297    0.4818   -1.2182 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