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
    2.3959   -0.6623    0.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3928    0.3012   -0.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8533    1.2847   -1.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0181    0.1333   -0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4346   -0.9401    0.7131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7590   -1.1645    1.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7392   -0.3360    0.5502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3640    0.7243   -0.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0148    0.9516   -0.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0207   -1.6807   -0.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4768   -0.6131    1.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4008   -0.4692   -0.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1702    2.0009   -1.5142 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9091    1.4209   -1.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3558   -1.5862    1.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0072   -2.0278    1.6537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7709   -0.5427    0.8118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1159    1.4037   -0.6273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7516    1.8022   -1.1743 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