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
   -2.1227    1.2344   -0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4190   -0.0541    0.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1860   -1.0419    0.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0177   -0.1120    0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6779    1.0039   -0.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0475    0.9340   -0.5717 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7248   -0.2221   -0.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0870   -1.3505    0.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6958   -1.2627    0.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1705    1.2315    0.2043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5953    2.0758    0.3665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1440    1.3971   -1.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7242   -1.9788    0.8734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2705   -0.9129    0.7076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1525    1.9284   -0.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5691    1.8271   -0.9379 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8024   -0.2612   -0.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6218   -2.2567    0.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2357   -2.1792    0.7040 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