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
   -2.0320    1.4172   -0.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4858    0.0412    0.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2924   -0.9268    0.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0492   -0.1152    0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7909    0.9579   -0.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1573    0.8400   -0.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7526   -0.3724   -0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9699   -1.4581    0.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -1.3059    0.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1510    1.3444   -0.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5844    1.7269   -1.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7084    2.0856    0.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9374   -1.9069    0.5967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3818   -0.7926    0.4034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3248    1.9004   -0.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8179    1.6612   -0.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8151   -0.4791   -0.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4059   -2.4273    0.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0131   -2.1903    0.5504 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