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
   -2.1610   -0.8907    0.8497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4365    0.2000    0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1356    1.2017   -0.3633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0130    0.0906   -0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7005   -0.9897    0.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0545   -1.0985    0.3183 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7705   -0.1300   -0.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1059    0.9565   -0.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7190    1.0436   -0.7127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6325   -1.1700    1.7783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1858   -0.5320    1.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2382   -1.7359    0.1229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2331    1.2381   -0.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7413    2.0457   -0.9119 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1565   -1.7474    0.9862 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6082   -1.9565    0.7283 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8477   -0.1943   -0.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5995    1.7554   -1.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2148    1.9132   -1.1371 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