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
    3.4294    0.8309   -0.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5013    0.3114   -1.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8930   -0.8673   -0.7444 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5901   -0.8568   -0.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0260   -2.0207    0.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3332   -2.0039    0.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0669   -0.8437    0.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4254    0.3104    0.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1201    0.3219   -0.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1760    1.5947    0.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7161    0.3581    0.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9088    1.7406   -0.6810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1951    0.7866   -2.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5058   -2.9784    0.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8275   -2.9274    0.8607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0900   -0.7927    0.9436 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3472    1.2718   -0.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2296    1.4794   -0.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6764    2.3396   -0.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1157    1.9454    1.3012 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