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
    4.0660    0.7406    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9649    0.0407   -0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7567    0.6614   -0.0809 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5239    0.0569   -0.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3913   -1.3001   -0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8741   -1.8866   -0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0291   -1.1200   -0.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8832    0.2509   -0.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6225    0.8128   -0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0688    1.1445   -0.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0162    0.2517    0.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0293    1.8098   -0.0437 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0288   -1.0351    0.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2280   -1.9782    0.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0162   -2.9594    0.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0057   -1.5688   -0.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5100    1.8864   -0.2153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9888    0.6013   -0.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8498    1.9354   -1.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1569    1.6557    0.7262 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