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
   -2.3789    0.4465    0.5447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4202   -0.4053   -0.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8838   -1.3923   -0.9265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -0.1145   -0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4461    0.9390    0.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7820    1.2529    0.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7481    0.5152    0.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3419   -0.5322   -0.5939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9832   -0.8389   -0.7246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1348    1.5213    0.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4261    0.3177    0.1821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3194    0.2975    1.6516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9450   -1.5552   -0.9689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2363   -2.0397   -1.4821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3035    1.5383    1.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1091    2.0771    1.4588 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7999    0.7642    0.3004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1001   -1.1171   -1.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7332   -1.6745   -1.3561 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