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
   -1.3583    0.6290   -1.8445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4962   -0.3910   -1.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2408   -1.5073   -1.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0610   -0.1346    0.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8651   -1.0098    0.7985 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3765   -0.7244    2.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0620    0.4771    2.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2566    1.3813    2.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2296    1.0755    0.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3093    0.7697   -1.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5988    0.3750   -2.8751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7867    1.5992   -1.8641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6890   -1.6529   -2.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3790   -2.2913   -1.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1244   -1.9563    0.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036   -1.4341    2.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4522    0.7141    3.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0055    2.3157    2.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8774    1.7651    0.2125 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