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
   -2.2102    1.0180    0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3788    0.1218   -0.4878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8899   -0.4663   -1.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0022   -0.1062   -0.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8749   -0.9106   -0.8193 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1787   -1.0634   -0.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6414   -0.4113    0.7148 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7827    0.3996    1.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4967    0.5416    0.9898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3753    0.6134    1.3662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1751    1.2700   -0.1598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931    2.0057    0.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3671   -1.1335   -2.2027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9346   -0.2990   -1.8128 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5271   -1.4431   -1.7167 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8506   -1.7197   -0.9784 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6876   -0.5474    1.0313 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1284    0.9296    2.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1461    1.2006    1.5839 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