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
    2.2633    1.0166   -0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4555   -0.2209    0.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0820   -1.3209    0.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0153   -0.1244    0.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8334   -1.1926    0.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2223   -1.0876    0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7973    0.1134   -0.3075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9557    1.1908   -0.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5905    1.0850   -0.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9710    1.3862   -1.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3486    0.8224    0.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9098    1.7544    0.7371 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1660   -1.2953    0.6329 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5835   -2.2590    0.7123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3952   -2.1519    0.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8420   -1.9670    0.1995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8711    0.1646   -0.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3663    2.1529   -0.7659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0787    1.9335   -0.4684 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