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
   -2.2160    0.2426    1.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4435    0.2509   -0.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0471    0.4622   -1.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0117    0.0189   -0.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5829   -0.2044    1.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9275   -0.4307    1.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7760   -0.4526    0.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1938   -0.2339   -1.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8284   -0.0030   -1.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7914    0.8981    1.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2602    0.6331    0.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2495   -0.7846    1.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5033    0.4714   -2.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1308    0.6312   -1.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0744   -0.1923    1.9641 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3519   -0.6011    2.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8440   -0.6316    0.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8147   -0.2402   -1.9857 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4084    0.1661   -2.2429 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