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
    3.2982    0.4216    0.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5018   -0.5479    0.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0983   -0.3232    0.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2857   -1.3938   -0.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0443   -1.1260   -0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6230    0.0978   -0.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8264    1.1433    0.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5406    0.9192    0.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0863    0.2495   -0.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3804    0.2299    0.9410 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0308    1.4493    0.9473 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9001   -1.5399    0.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7337   -2.3703   -0.3713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6545   -1.9799   -0.7586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2773    2.1090    0.2387 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1184    1.7964    0.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5652   -0.7431   -0.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5546    0.9297    0.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2566    0.6784   -1.5575 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