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
    2.7526    1.7819    0.9384 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5708    0.5220    1.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1465   -0.4684    0.4062 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8528   -0.6157   -0.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6093   -1.6756   -0.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6338   -1.9421   -1.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6643   -1.1024   -1.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4538   -0.0410   -0.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1947    0.1871    0.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6146    0.8388    0.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0857    2.4733    1.6812 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5707    2.1367   -0.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7652    0.2200    2.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4140   -2.3560   -1.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7734   -2.7966   -2.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6551   -1.2670   -1.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0180    1.0198    0.9503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5553    0.2913   -0.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6019    1.7405   -0.5034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6029    1.0535    1.2167 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