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
   -2.1538    0.7179    1.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4236   -0.2645    0.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0832   -1.2680   -0.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0121   -0.1076   -0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7013    0.9816    0.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0371    1.1619    0.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7263    0.2582   -0.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0568   -0.8134   -1.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7040   -0.9801   -0.8227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8088    0.6975    2.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2495    0.5715    0.9795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8903    1.7294    0.6174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6715   -2.0574   -0.9122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1472   -1.3690   -0.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1093    1.6664    1.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5271    2.0047    0.6661 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7735    0.4403   -0.6874 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5689   -1.5278   -1.6684 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2359   -1.8416   -1.2676 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