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
   -2.1902    0.9200    0.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4654   -0.2391    0.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1072   -1.3095   -0.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0234   -0.1539   -0.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6310    1.0200    0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9871    1.1614    0.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7883    0.1577   -0.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1273   -0.9853   -0.6433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7551   -1.1540   -0.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7584    1.2745    1.6021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2774    0.7138    0.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1150    1.7770   -0.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2064   -1.3125   -0.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6232   -2.1765   -0.6907 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0378    1.8301    0.7501 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5004    2.0847    0.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8617    0.2721   -0.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7601   -1.7896   -1.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3177   -2.0909   -0.8827 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