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
    3.4820    0.6563   -0.7455 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6900    0.3267    0.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0082   -0.8658    0.2118 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6121   -0.8460    0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1396   -2.0005    0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5153   -2.0252    0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1721   -0.7901    0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4672    0.3904    0.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0899    0.3519    0.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2006    1.6813    0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5845   -0.0348   -1.5831 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0460    1.5887   -0.7731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5648    0.9798    1.0799 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4231   -2.9466    0.1421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0600   -2.9612    0.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2525   -0.8348   -0.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5104    1.2613    0.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6874    2.3096   -0.7555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0826    2.2547    0.9726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2538    1.5045   -0.2387 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