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
   -2.3608    0.8356   -0.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4412   -0.3399    0.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0024   -1.4939    0.4288 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0112   -0.1432    0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5146    1.1190   -0.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8717    1.3471   -0.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7988    0.3425   -0.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3113   -0.9090    0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9347   -1.1396    0.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2669    1.5789    0.7276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0383    1.3192   -1.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3983    0.4838   -0.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3928   -2.3607    0.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0696   -1.6129    0.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1976    1.9123   -0.4174 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2568    2.3469   -0.6176 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8547    0.5586   -0.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0274   -1.7053    0.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5867   -2.1394    0.4587 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