Monomers

alpha-Methylstyrene

Identifiers

IUPAC name
prop-1-en-2-ylbenzene
InchI
InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InchI Key
XYLMUPLGERFSHI-UHFFFAOYSA-N
SMILES
CC(=C)c1ccccc1
Canonical SMILES
CC(=C)C1=CC=CC=C1
Isomeric SMILES
CC(=C)C1=CC=CC=C1
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
2.7197
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
   -2.3626    0.7112    0.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4060   -0.4262    0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8464   -1.6476   -0.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0201   -0.1336    0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310    1.1987    0.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7502    1.5139    0.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7129    0.5314    0.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3211   -0.7795   -0.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9702   -1.1155   -0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4042    0.3941   -0.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1016    1.4908   -0.5715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3117    1.0924    1.2111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9213   -1.8197   -0.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2044   -2.4932   -0.2162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3129    1.9761    0.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1296    2.5367    0.3008 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7711    0.7450    0.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0483   -1.5965   -0.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7166   -2.1784   -0.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  3 14  1  0
  5 15  1  0
  6 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers