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
    2.3815   -0.7106   -0.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4129    0.1375    0.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8789    0.9116    1.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0222    0.0990    0.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4785   -0.7570   -0.9083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8112   -0.8350   -1.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7585   -0.0689   -0.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3294    0.7779    0.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9738    0.8555    0.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4114   -0.3600   -0.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2073   -0.6991   -1.4231 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2943   -1.7375    0.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2307    1.5393    1.9265 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9309    0.9268    1.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2811   -1.3559   -1.4044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1258   -1.5189   -2.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7937   -0.1577   -0.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0478    1.4098    0.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6883    1.5431    1.5219 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