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
   -2.1741   -0.7059   -0.9554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4334    0.2043   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1084    1.0678    0.6936 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    0.0671    0.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7179    0.8773    0.9102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1064    0.7792    1.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7529   -0.1521    0.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0268   -0.9756   -0.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6590   -0.8674   -0.7112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1247   -1.7186   -0.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2096   -0.3444   -1.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6830   -0.7386   -1.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    1.7739    1.4013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1987    1.1221    0.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2426    1.6260    1.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6217    1.4325    1.6880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8246   -0.2188    0.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5637   -1.6986   -1.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1279   -1.5303   -1.3978 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