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
    4.0082    0.3677    0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6939    0.4710    0.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9364   -0.6836   -0.0083 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5559   -0.7177   -0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1411   -1.9266   -0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5160   -1.9830   -0.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2604   -0.8186   -0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6068    0.3930    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276    0.4164    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3896    1.6769    0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6477    1.2420    0.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4613   -0.5948    0.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2650    1.4667    0.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4381   -2.8408   -0.0732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0325   -2.9507   -0.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3392   -0.8381   -0.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2372    1.4072    0.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4144    1.4403   -0.3077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3704    2.0464    1.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9457    2.4263   -0.6531 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