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
    3.2520    0.7525    0.6069 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7298    0.1189   -0.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9537   -1.0217   -0.2329 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5848   -0.9330   -0.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1480   -2.0745    0.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5316   -1.9693    0.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1506   -0.7218    0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4034    0.4225   -0.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0127    0.2950   -0.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0564    1.7447   -0.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8473    1.6292    0.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0730    0.3790    1.5996 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125    0.4981   -1.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3052   -3.0747    0.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1377   -2.8509    0.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2236   -0.6265    0.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5234    1.2248   -0.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5485    2.3184   -1.0917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1155    1.5856   -0.4814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8535    2.3037    0.6670 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