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
    2.1095    0.5165    1.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4682   -0.1552    0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -0.7957   -0.8781 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0180   -0.0602   -0.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6733   -0.6405   -1.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0376   -0.5641   -1.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7433    0.1266   -0.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0687    0.7266    0.7659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7071    0.6426    0.8728 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1978    0.3162    1.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8800    1.6024    1.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6668    0.0676    2.1004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2606   -0.8466   -0.7663 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7685   -1.2928   -1.7271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1643   -1.2013   -1.9213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5768   -1.0371   -2.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8219    0.2123   -0.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5944    1.2810    1.5425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1488    1.1017    1.6898 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