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
   -1.9477    1.5223    0.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4476    0.1210    0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3147   -0.8543    0.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0343   -0.1610   -0.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4945   -1.4109   -0.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8739   -1.5626   -0.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7450   -0.4940   -0.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1864    0.7533   -0.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8336    0.9337   -0.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0007    1.5226    0.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3554    2.0339    1.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8300    2.0574   -0.6628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0796   -1.8925   -0.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3657   -0.6187    0.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1563   -2.2749   -0.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2761   -2.5534   -0.5668 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8115   -0.6573   -0.4964 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8795    1.5871   -0.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4318    1.9481    0.1030 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