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
    3.4157    0.0191    0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4057   -0.3350   -0.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2565    0.4351   -0.7289 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0772   -0.0674   -0.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0005   -1.3336    0.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1599   -1.8486    0.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2776   -1.0385    0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2167    0.2355    0.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0411    0.7317   -0.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0258    2.1090   -0.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3249   -0.5991    0.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4301    0.8626    0.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4362   -1.2011   -1.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9078   -1.9501    0.3622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1866   -2.8472    1.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1993   -1.4386    1.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1293    0.8323    0.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    2.1385   -1.8148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0045    2.5558   -0.7185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    2.7397   -0.0955 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