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
    3.4733   -0.5101   -0.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8561   -1.1878    0.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4976   -1.4097    0.4494 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5388   -0.4336    0.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7762    0.9121    0.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2432    1.8266    0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5635    1.4253    0.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8140    0.0660    0.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7862   -0.8447    0.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2199   -0.4350    0.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5314   -0.3382   -0.3648 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9193   -0.1180   -1.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4078   -1.5825    1.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7993    1.2575    0.3904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0484    2.8871    0.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3976    2.1033    0.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0240   -1.9179    0.3314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2807   -1.4390    0.6455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9378    0.2332    0.6516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4845   -0.4947   -0.9013 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