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
   -2.2754    0.7111   -0.6931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4403   -0.1077    0.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0581   -0.8051    1.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007   -0.0687    0.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8561   -0.7845    0.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2294   -0.7751    0.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7617   -0.0027   -0.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9210    0.7165   -1.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5512    0.7030   -0.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3326    0.7824   -0.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8225    1.7295   -0.7080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2234    0.2338   -1.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1491   -0.7871    1.2475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5352   -1.4129    1.8868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4678   -1.4099    1.7102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8690   -1.3629    1.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8407    0.0271   -0.3712 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3844    1.3221   -1.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0454    1.2909   -1.6084 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