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
   -1.6808    1.4699    1.2352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3700    0.1375    0.6617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2932   -0.7981    0.5894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0364   -0.1403    0.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9103    0.8792    0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1799    0.6998   -0.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5315   -0.5238   -0.7074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6096   -1.5330   -0.8147 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3171   -1.3341   -0.3685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1853    1.6293    2.2160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7832    1.5568    1.2963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3418    2.2995    0.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1740   -1.7916    0.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3074   -0.5769    0.9630 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6413    1.8463    0.7142 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9207    1.4810   -0.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5447   -0.6629   -1.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8963   -2.4687   -1.2434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3792   -2.1699   -0.4769 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