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
   -2.3415    0.2570   -0.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3440   -0.5621   -0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7514   -1.6574    0.4264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0371   -0.1258   -0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9860   -0.8324    0.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2784   -0.3312    0.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6320    0.8382    0.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6520    1.5209   -0.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3745    1.0663   -0.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9039    0.5019   -1.9187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5482    1.2230   -0.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2607   -0.2945   -1.1053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8035   -1.9517    0.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0756   -2.2666    0.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7828   -1.7575    1.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0232   -0.8998    1.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6571    1.1739    0.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9643    2.4550   -1.1045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3587    1.6428   -1.2328 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