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
    3.5878    0.3407    0.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8960   -0.7734    0.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6070   -0.8655    0.8597 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5106   -0.3737    0.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7279    0.2116   -1.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3776    0.6907   -1.7423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6510    0.5826   -1.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8578   -0.0046    0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7518   -0.4832    0.7102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1909   -0.1441    0.6683 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5836    0.3559   -0.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1762    1.2677    0.7917 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3331   -1.6584   -0.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7326    0.2814   -1.4736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2656    1.1586   -2.7100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5310    0.9531   -1.7050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9081   -0.9507    1.6887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4065   -1.2336    0.8624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2246    0.3402    1.6787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9900    0.3047    0.0809 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