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
   -2.3668   -0.5887    0.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3420   -0.0213   -0.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6651    0.3876   -1.7856 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0246    0.0575   -0.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3316   -0.3879    1.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5997   -0.3430    1.6729 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6022    0.1612    0.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3406    0.6066   -0.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0342    0.5513   -0.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9996   -1.5804    0.6972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5380    0.0419    1.2120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3081   -0.6642   -0.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9572    0.7932   -2.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7107    0.3205   -2.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4730   -0.7800    1.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8362   -0.6837    2.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6207    0.2080    1.2408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1050    1.0040   -1.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8658    0.9173   -1.9357 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