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
   -3.3246    0.1288   -0.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2798   -0.0041    0.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3135   -0.9214    0.3462 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0182   -0.7542    0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8137   -1.9070   -0.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1499   -1.7893   -0.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7510   -0.5533   -0.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9578    0.5641   -0.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5798    0.4869    0.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1479    1.7436    0.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3786   -0.5342   -1.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0602    0.8831   -0.1038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2841    0.6992    1.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3524   -2.8913    0.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7623   -2.6853   -0.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8294   -0.4443   -0.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3977    1.5662   -0.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5164    2.6213   -0.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2856    1.9278    1.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0545    1.8633   -0.3811 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