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
   -2.1075   -0.8159   -0.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4396    0.1114    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1589    0.9321    0.7231 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0037    0.1268    0.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6924    0.9632    0.9651 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0731    0.8958    1.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7495   -0.0009    0.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0656   -0.8453   -0.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6984   -0.7851   -0.6849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9511   -1.8868   -0.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1784   -0.6169   -1.0483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -0.7529   -1.9677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    1.6452    1.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2645    0.9054    0.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1342    1.6521    1.5733 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6061    1.5658    1.6782 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8426   -0.0751    0.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5729   -1.5645   -1.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1449   -1.4545   -1.3584 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