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
    3.9959    0.5778   -0.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9197    0.0446   -0.7916 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7016    0.7101   -0.8147 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5239    0.1149   -0.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4723   -1.1989    0.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7494   -1.7397    0.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9171   -1.0070    0.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8370    0.2882   -0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6397    0.8498   -0.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1030    1.0730   -0.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9171    0.0142   -0.2465 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9619    1.5732    0.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9611   -0.9322   -1.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -1.7705    0.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8173   -2.7609    0.8428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8719   -1.4085    0.7231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5873    1.8649   -0.8242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9326    2.1289   -0.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6472    0.9623    0.8606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7328    0.6159   -0.9056 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