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
   -2.2299    0.8602   -0.6555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4489   -0.2374    0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0474   -1.2510    0.5797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0014   -0.1257    0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5755    0.9900   -0.5976 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9380    1.1393   -0.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7478    0.1820   -0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1592   -0.9084    0.5879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7804   -1.0833    0.6226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2950    0.6431   -0.5089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9555    0.9003   -1.7457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9212    1.8452   -0.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5524   -2.0558    1.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1417   -1.3177    0.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0596    1.7539   -1.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4422    1.9763   -1.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8232    0.2996   -0.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8008   -1.6527    1.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3858   -1.9579    1.1139 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