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
   -2.1615   -1.0290    0.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4620    0.0866   -0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1416    0.9861   -0.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0129    0.1138   -0.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7266    1.0920   -0.7053 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1040    1.1062   -0.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7172    0.0955    0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0320   -0.8965    0.6954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6605   -0.8978    0.6358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8888   -1.9753    0.0779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2502   -0.8782    0.5992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8079   -1.0784    1.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2190    0.9242   -0.7657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6848    1.7884   -1.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    1.8730   -1.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6748    1.8940   -1.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8134    0.1150    0.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5867   -1.6597    1.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0718   -1.6598    1.1245 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