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
   -2.1669   -0.6861   -1.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4762   -0.0589    0.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1624    0.3565    1.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0334    0.0651    0.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6554   -0.3998   -0.9840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0275   -0.3032   -1.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7815    0.2509   -0.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1098    0.7101    1.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7210    0.6147    1.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6853   -1.6589   -1.2134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2293   -0.8897   -0.7744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0154   -0.0160   -1.8668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7109    0.8053    2.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2506    0.2551    1.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0884   -0.8505   -1.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5798   -0.6668   -1.9452 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8639    0.3333   -0.1065 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6689    1.1514    1.8631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2343    0.9876    2.0234 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