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
    3.3782   -0.5790   -0.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5952    0.1305    0.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1534    0.1039    0.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3231    0.8770    1.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0443    0.8854    0.9247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6766    0.1209   -0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661   -0.6424   -0.8453 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5094   -0.6544   -0.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1591    0.1230   -0.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0747   -1.2360   -1.1516 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4743   -0.5489   -0.2094 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0133    0.7546    1.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8403    1.4807    1.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6585    1.5009    1.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3926   -1.2431   -1.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0833   -1.2758   -1.3941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6689    0.2740    0.8004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4793   -0.8944   -0.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4999    0.8231   -0.9604 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