Monomers

1-(Ethenyloxy)-3-methylbenzene

Identifiers

IUPAC name
1-ethenoxy-3-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
ZBUCIAUZAGKZOS-UHFFFAOYSA-N
SMILES
C=COc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)OC=C
Isomeric SMILES
CC1=CC(=CC=C1)OC=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
    3.8466   -0.7648    0.2827 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6530   -0.6192   -0.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9905    0.5793   -0.2938 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6023    0.6930   -0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0171    1.9406   -0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3640    2.0788   -0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1887    0.9834    0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6104   -0.2473    0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2259   -0.3977   -0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4596   -1.4724    0.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3525    0.0726    0.7175 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3233   -1.7329    0.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.4813   -0.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6598    2.8055   -0.3588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7956    3.0673   -0.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2577    1.1254    0.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2393   -1.3710    0.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0295   -1.3478    1.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8144   -2.3687    0.3261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0820   -1.5428   -0.6285 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
  8 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
  9 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