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
    3.6298   -0.0188    0.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8816   -0.4760   -0.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6752   -1.1105   -0.3002 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5339   -0.3604   -0.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241    1.0171   -0.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5564    1.7082   -0.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7768    1.1095    0.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7936   -0.2715    0.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6424   -1.0017    0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0823   -0.9723    0.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2973   -0.1388    1.4543 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    0.4719    0.2149 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1798   -0.3760   -1.5834 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552    1.5353   -0.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4904    2.7993   -0.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6974    1.6769    0.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6665   -2.0713    0.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9936   -1.7058    1.3411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8746   -0.2291    0.7516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3695   -1.5860   -0.3882 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