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
    3.3389   -1.0219   -0.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6669   -0.5245    0.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0314    0.7068    0.2251 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6515    0.8060    0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0894    2.0538   -0.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3019    2.1536   -0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0559    1.0008   -0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5056   -0.2549    0.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1281   -0.3304    0.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3294   -1.4927    0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8309   -1.9608   -0.5085 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4110   -0.5169   -1.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6060   -1.0568    1.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7032    2.9422   -0.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7162    3.1439   -0.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1410    1.0892   -0.1891 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3110   -1.3074    0.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3844   -1.2589   -0.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1543   -1.9652    1.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9234   -2.2061   -0.6264 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