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
    2.2828   -0.9220   -0.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4441    0.2750    0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0487    1.3837    0.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0062    0.1546    0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5901   -1.0688   -0.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9523   -1.2597   -0.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8039   -0.2273    0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2467    0.9865    0.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8549    1.1682    0.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9702   -1.8131    0.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2419   -1.0868   -1.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3501   -0.7444   -0.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1233    1.4406    0.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4959    2.2544    0.5848 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0851   -1.8883   -0.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3865   -2.2298   -0.5488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8862   -0.3849    0.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8693    1.8155    0.6248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    2.1463    0.6282 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