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
   -2.2875   -0.8352    0.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4239    0.3181   -0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9687    1.4496   -0.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0121    0.1366   -0.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8600    1.1415   -0.4297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2285    0.8932   -0.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7011   -0.3264    0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8534   -1.3384    0.4097 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5033   -1.0856    0.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9603   -1.1363    1.3817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3425   -0.5209    0.3222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0484   -1.6759   -0.3089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3894    2.2759   -0.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0428    1.5296   -0.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5237    2.1329   -0.7674 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8834    1.7051   -0.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7900   -0.4838    0.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2668   -2.2868    0.7295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1587   -1.8933    0.6743 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