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
    3.5623   -0.9379    0.9202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7854   -1.1690   -0.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4350   -1.4363   -0.0035 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4654   -0.4370   -0.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8019    0.8823   -0.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1917    1.8349   -0.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5315    1.5315   -0.3469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8539    0.2083   -0.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8714   -0.7545    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2727   -0.2517    0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1548   -0.9507    1.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6051   -0.7365    0.7603 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2154   -1.1508   -1.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8539    1.1768   -0.4598 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0919    2.8601   -0.6505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3099    2.2765   -0.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1510   -1.7940    0.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3171   -0.8214    1.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9699    0.5864    0.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5020   -0.9170   -0.8219 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