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
    2.2610    0.9089   -0.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4384   -0.2533   -0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0636   -1.3775    0.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0056   -0.1502    0.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6038    1.0664   -0.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9665    1.2543   -0.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8070    0.2225    0.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2461   -0.9896    0.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8554   -1.1684    0.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3846    1.6367    0.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2992    0.5883   -0.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8682    1.4483   -1.2897 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5698   -2.2913    0.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1509   -1.4675    0.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0179    1.8920   -0.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3956    2.2129   -0.5001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8804    0.4023    0.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8698   -1.8038    0.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4233   -2.1309    0.6539 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