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
   -2.1198   -0.9260    0.8961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4735   -0.1232   -0.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1990    0.3977   -1.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0329    0.0692   -0.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7055   -0.5004    0.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0710   -0.3455    0.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830    0.3766    0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0734    0.9460   -0.9719 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6858    0.7887   -1.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6295   -1.9164    1.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2063   -0.9816    0.7856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9318   -0.3584    1.8546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2664    0.2238   -1.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8286    0.9890   -1.9508 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1477   -1.0783    1.6589 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6122   -0.8057    1.8209 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8653    0.4822    0.1536 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6002    1.5204   -1.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1434    1.2417   -1.8739 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