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
   -2.3275    0.9135    0.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4526   -0.2819    0.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0356   -1.4398   -0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0011   -0.1506   -0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5804    1.1231    0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9410    1.2894    0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7971    0.2363   -0.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2522   -1.0061   -0.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8790   -1.1843   -0.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3530    0.6902   -0.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9588    1.7693   -0.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3426    1.2707    1.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1055   -1.5224   -0.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4722   -2.3316   -0.2211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483    1.9785    0.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4096    2.2809    0.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792    0.4119   -0.1205 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8869   -1.8556   -0.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4695   -2.1915   -0.3104 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