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
    3.3960   -0.6844   -0.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7162   -1.3433    0.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3759   -1.6081    0.0341 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4173   -0.5865    0.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8688    0.6833    0.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0447    1.7087    0.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3990    1.4971    0.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8133    0.2056    0.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9101   -0.8229   -0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2648   -0.0870   -0.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9119   -0.3299   -1.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4446   -0.4983   -0.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2029   -1.6832    1.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9492    0.8847    0.5324 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3683    2.7029    0.7209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1031    2.3139    0.4348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2285   -1.8559   -0.2382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5070   -0.0355   -1.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9098    0.6318    0.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4709   -1.0929    0.3263 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