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
    3.7369   -0.9226    0.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5557   -0.5365    0.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9700    0.6507    0.2788 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6018    0.7473    0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0660    1.9507   -0.3882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2950    2.0952   -0.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0647    0.9623   -0.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5295   -0.2429   -0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1823   -0.3555    0.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4493   -1.4148    0.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1756   -1.8461    0.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3138   -0.3309   -0.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423   -1.1752    1.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7229    2.7928   -0.4985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7336    3.0302   -0.9792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1438    1.0431   -0.6951 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1989   -1.3278    0.4992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0240   -2.1162    0.8147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4851   -1.9365   -0.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4765   -1.0674    0.3619 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