Monomers

1-Ethenoxy-2-methylbenzene

Identifiers

IUPAC name
1-ethenoxy-2-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3
InchI Key
TWWWGBSUPNNTMJ-UHFFFAOYSA-N
SMILES
C=COc1ccccc1C
Canonical SMILES
CC1=CC=CC=C1OC=C
Isomeric SMILES
CC1=CC=CC=C1OC=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
    3.1277   -0.3224   -0.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4381    0.6070    0.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2404    1.0652   -0.0052 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1073    0.2278   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2308   -1.0641    0.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8392   -1.9346    0.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0361   -1.4548    0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1978   -0.1787   -0.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1060    0.6640   -0.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2317    2.0395   -1.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0732   -0.6807    0.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -0.7552   -1.1021 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8279    0.9994    1.3938 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1720   -1.4478    0.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7430   -2.9576    0.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8873   -2.1175    0.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1772    0.1530   -0.8506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8937    2.0443   -2.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6082    2.7441   -0.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2889    2.3691   -0.8925 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
  9 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
  8 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