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

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
    2.3517    0.7881    0.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3948   -0.3654    0.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8698   -1.5743    0.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0248   -0.1238   -0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9557   -1.1320   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3140   -0.8778   -0.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7383    0.4300   -0.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7945    1.4300   -0.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4677    1.2065   -0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542    1.4845    1.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3314    0.4421    0.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5177    1.2713   -0.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9536   -1.7421    0.3875 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2486   -2.4440    0.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6666   -2.1835   -0.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0152   -1.6972   -0.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8014    0.6293   -0.4762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1288    2.4650   -0.3193 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2853    1.9933   -0.0194 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