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
    3.9449    0.4202   -0.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6258    0.3945   -0.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9129   -0.3404    0.4136 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -0.4259    0.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0238   -1.2195    1.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3976   -1.3277    1.6069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2072   -0.6315    0.7423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6359    0.1555   -0.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2676    0.2619   -0.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4669    0.9217   -1.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5798    0.9849   -1.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4739   -0.1311    0.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1857    0.9747   -1.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6476   -1.7513    2.1444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7975   -1.9554    2.3781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2841   -0.6846    0.7999 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1573    0.8899   -1.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0783    0.7882   -2.2084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3816    2.0162   -0.9658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    0.6600   -1.1417 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