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
    2.3211    0.4491   -0.6708 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4178   -0.3346    0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8825   -1.1880    1.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0102   -0.0796    0.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4417    0.8488   -0.8544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7901    1.0758   -0.9777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6925    0.3988   -0.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2764   -0.5196    0.7451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9257   -0.7499    0.8717 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3685    0.1510   -0.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9831    0.2509   -1.7084 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1716    1.5237   -0.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -1.3353    1.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2694   -1.7570    1.7445 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2937    1.3680   -1.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1126    1.8131   -1.7269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7553    0.6284   -0.3375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0143   -1.0493    1.3667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6432   -1.4943    1.6318 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