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
    3.6454   -0.1516   -0.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4774    0.4570    0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3365   -0.3071   -0.0024 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0473    0.1406    0.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2326    1.4873    0.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5299    1.9407    0.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5630    1.0334    0.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2847   -0.3077    0.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9929   -0.7739    0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7234   -2.2186   -0.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5571    0.4170    0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7338   -1.2203   -0.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4466    1.5232    0.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5581    2.2375    0.4024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7356    2.9975    0.6125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5811    1.4082    0.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1199   -0.9941    0.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7070   -2.7577    0.7866 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2248   -2.3139   -0.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5569   -2.5975   -0.8223 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