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
    2.9416   -0.6532    1.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5608    0.0993    0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3540    0.7856    0.0168 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1376    0.1183   -0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1104   -1.2642   -0.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0991   -1.9241   -0.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2620   -1.1922   -0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2174    0.1812   -0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0233    0.8619   -0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9051    2.3405   -0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3181   -0.7630    1.9156 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8829   -1.1735    1.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1816    0.2154   -0.8507 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0476   -1.8171   -0.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0868   -3.0091   -0.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -1.7354   -0.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1431    0.7761   -0.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8211    2.8380   -0.3751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0015    2.6176   -0.5652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7601    2.6978    1.0424 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