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
    3.3757    0.1239   -0.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2743    0.0551   -1.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1047    0.7128   -0.7202 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0379   -0.0134   -0.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1366   -1.3852   -0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9472   -2.0539    0.5266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0839   -1.3471    0.8579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1977    0.0155    0.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0992    0.6949    0.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1612    2.1430   -0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3467    0.7183    0.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2877   -0.3790   -0.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3133   -0.5556   -1.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0594   -1.8744   -0.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8830   -3.1238    0.6731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9159   -1.8984    1.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0976    0.5667    0.9475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1755    2.6434   -0.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7933    2.5935    0.7206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5816    2.3636   -1.0725 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