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
   -2.1709   -0.3979   -1.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4626   -0.0007    0.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1461    0.2902    1.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0297    0.0455    0.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6310   -0.2785   -1.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0005   -0.2714   -1.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7301    0.0873   -0.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1278    0.4150    1.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7466    0.3904    1.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8056    0.2319   -1.9212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2562   -0.2504   -1.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8903   -1.4561   -1.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6521    0.5731    2.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2351    0.2628    1.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0721   -0.5663   -1.9162 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5258   -0.5223   -2.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8216    0.1055   -0.1038 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7123    0.6919    2.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2807    0.6499    2.1643 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