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
   -3.2060   -0.6373    0.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3817   -0.4176   -0.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2665    0.3879   -0.7959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0789   -0.0231   -0.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0755   -1.2802    0.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483   -1.6974    0.9406 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2863   -0.7959    0.9717 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1346    0.4697    0.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9594    0.8838   -0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8234    2.2537   -0.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0514   -0.1931    1.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0580   -1.2718   -0.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5698   -0.8805   -1.8516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7656   -1.9673    0.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337   -2.6882    1.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2054   -1.1167    1.4347 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9605    1.1638    0.4573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1248    2.7264   -0.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6769    2.8656   -0.4704 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7987    2.2180   -1.8669 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