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
   -2.2514    1.0295    0.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4457   -0.2039   -0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0417   -1.3655   -0.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0068   -0.1414   -0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776    1.1242    0.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9469    1.2062    0.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7642    0.1074   -0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2149   -1.1451   -0.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229   -1.2367   -0.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9252    1.6166    1.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3158    0.7723    0.3509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1435    1.7307   -0.6915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1413   -1.3590   -0.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5357   -2.3069   -0.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0313    2.0157    0.2621 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3933    2.1977    0.2425 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8457    0.2100   -0.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8430   -2.0249   -0.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4162   -2.2268   -0.3042 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