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
    4.0747   -0.7257    0.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9707   -0.0691    0.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7703   -0.7114    0.3598 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5406   -0.0811    0.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3950    1.2874    0.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8555    1.8907   -0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9984    1.1137   -0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8614   -0.2546    0.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6114   -0.8393    0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1049   -1.0951    0.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0392   -1.7607   -0.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0547   -0.2701    0.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0210    0.9639    0.6848 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2892    1.8960    0.1414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9693    2.9674   -0.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9955    1.5230   -0.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5184   -1.9225    0.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3839   -1.3377   -1.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9309   -2.0452    0.5659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9257   -0.5296    0.4950 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