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
   -2.2272   -0.9722    0.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4548    0.0962   -0.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1114    0.9569   -1.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0144    0.1013   -0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6190   -0.8293    0.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9744   -0.8570    0.9271 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7859    0.0775    0.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1867    1.0190   -0.4892 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7988    1.0320   -0.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7597   -1.9578    0.2305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1183   -0.8128    1.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2964   -0.9509    0.1517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6392    1.7567   -1.5779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2098    0.8696   -1.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0074   -1.5687    1.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4723   -1.5836    1.5546 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8665    0.0660    0.4738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7907    1.7772   -0.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442    1.7800   -1.3264 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