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
    3.5479   -0.0247    0.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4576   -0.3706   -0.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3446    0.4412   -0.2330 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0499   -0.0777   -0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1266   -1.4439   -0.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4182   -1.9140    0.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5218   -1.0812    0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3272    0.2856    0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0388    0.7653   -0.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8002    2.2326   -0.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5546    0.8868    0.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4511   -0.6164    0.3335 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4724   -1.2902   -0.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7457   -2.0780   -0.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5562   -2.9710    0.0865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5414   -1.4753    0.2052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1991    0.9370    0.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3549    2.5087   -1.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0169    2.4752    0.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7223    2.8108    0.0671 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