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
   -2.2136    0.8097    0.7941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4424   -0.3192    0.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0870   -1.3958   -0.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0052   -0.1347   -0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8126   -1.0870   -0.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1844   -0.8607   -0.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7798    0.3216   -0.4297 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9645    1.2780    0.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6092    1.0535    0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1969    0.4240    1.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3612    1.5973    0.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6941    1.1491    1.7214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1605   -1.4552    0.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5911   -2.2336   -0.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3693   -2.0286   -0.9386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.6400   -1.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8385    0.4806   -0.5762 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    2.2128    0.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0227    1.8282    0.7748 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