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
   -2.1231   -0.3874    1.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4905   -0.2060   -0.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2145   -0.2345   -1.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0460    0.0003   -0.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    0.1838   -1.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0715    0.3786   -1.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7367    0.3913   -0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0399    0.2123    1.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6835    0.0235    1.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7904    0.4511    1.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7134   -1.3147    1.6508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2212   -0.3535    1.1678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2801   -0.3918   -1.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7568   -0.1044   -2.1916 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    0.1792   -2.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6272    0.5204   -2.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8052    0.5402   -0.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5808    0.2256    2.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1663   -0.1138    1.9794 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