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
    4.0133    0.8318    0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9490    0.2992   -0.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7280    0.8912   -0.2889 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5232    0.1679   -0.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4858   -1.1927   -0.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7029   -1.8813   -0.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8951   -1.2010   -0.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8900    0.1602   -0.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6746    0.8127   -0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1757    0.9011    0.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9795    0.3785   -0.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9354    1.7148    0.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448   -0.5846   -1.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3970   -1.7461   -0.6964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7700   -2.9444   -0.7186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8593   -1.7133   -0.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6645    1.8704    0.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0028    1.5623    1.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9565    0.1800    0.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4645    1.4932   -0.7689 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