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
   -3.4681    0.0719   -0.5182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5834   -0.2019    0.3991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1388   -0.1102    0.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5329    0.2880   -0.9271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8569    0.3635   -1.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6933    0.0465    0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0868   -0.3520    1.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2831   -0.4304    1.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1729    0.1252   -0.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5433   -0.0163   -0.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1289    0.3975   -1.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9610   -0.5311    1.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1593    0.5505   -1.7872 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3041    0.6807   -1.9734 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7514   -0.6027    2.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7487   -0.7449    2.2251 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5647    1.1431    0.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6967   -0.5709    0.5589 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4205   -0.1065   -1.1818 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