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
    3.5113    0.4459    0.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4983    0.0148   -0.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2908    0.6999   -0.2201 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0967   -0.0283   -0.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0983   -1.4082    0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1039   -2.1079    0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3127   -1.4401    0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3008   -0.0661   -0.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1078    0.6429   -0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1134    2.1366   -0.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4311   -0.1285    0.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4162    1.3314    1.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5640   -0.8810   -0.7911 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0395   -1.9527    0.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0421   -3.1938    0.2164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2316   -2.0118    0.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2313    0.4893   -0.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9817    2.5712    0.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3829    2.4689   -1.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1380    2.4176   -0.6511 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