Monomers

1-(Ethenyloxy)-3-methylbenzene

Identifiers

IUPAC name
1-ethenoxy-3-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
ZBUCIAUZAGKZOS-UHFFFAOYSA-N
SMILES
C=COc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)OC=C
Isomeric SMILES
CC1=CC(=CC=C1)OC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10O
Heavy Atom Count
10
Molecular Weight
134.178
Exact Molecular Weight
134.0732
Valence Electrons
52
Radical Electrons
0
tPSA
9.23
MolLogP
2.5173
H Bond Acceptors
1
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

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.1002   -1.1958    0.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5518   -0.8293   -0.7328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0307    0.4462   -0.8524 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6987    0.6955   -0.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1754    1.9660   -0.6437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1442    2.1890   -0.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9666    1.1903    0.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4265   -0.0792    0.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1092   -0.3317   -0.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2806   -1.2010    0.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1486   -0.5170    1.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5291   -2.1781    0.5749 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5248   -1.5376   -1.5423 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8361    2.7463   -0.9957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5223    3.1919   -0.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0133    1.3398    0.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3022   -1.3494    0.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7636   -1.7799    1.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3939   -1.8933   -0.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2777   -0.8727    1.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  9 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers