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
   -2.3509    0.3232   -0.6492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3931   -0.4242    0.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8624   -1.3301    1.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0210   -0.1046    0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0038   -0.7273    0.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3194   -0.3628    0.6823 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7159    0.6035   -0.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7472    1.2353   -0.9515 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4248    0.8744   -0.7819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3817    1.3924   -0.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0193    0.2657   -1.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3130   -0.1914   -0.5958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9258   -1.5579    1.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2266   -1.8855    1.7169 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7046   -1.4900    1.5571 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0821   -0.8672    1.2778 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7797    0.8558   -0.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0217    2.0181   -1.6756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3474    1.3725   -1.3721 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