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
   -3.3147   -0.0180   -0.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5782    0.1881    0.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1453    0.0948    0.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4494   -0.2143   -0.9968 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -0.2945   -0.9996 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6520   -0.0598    0.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9472    0.2509    1.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4280    0.3328    1.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1359   -0.1490    0.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9135   -0.2675   -1.8144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3887    0.0586   -0.7904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0621    0.4366    1.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9615   -0.4005   -1.9063 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956   -0.5418   -1.9133 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5220    0.4346    2.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9580    0.5786    2.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5241    0.9062    0.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4682   -0.6352   -0.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -0.7005    1.0237 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