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
    3.5246   -0.8307    1.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5208   -0.8910    0.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0447    0.2261   -0.5025 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6655    0.5223   -0.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2245    1.6411   -1.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1287    1.8923   -1.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9843    1.0260   -0.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5320   -0.0882    0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1849   -0.3399    0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4837   -1.0192    0.7715 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8872   -1.7023    1.5344 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0086    0.1091    1.2219 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0534   -1.8466   -0.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9424    2.3013   -1.7225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5401    2.7504   -1.7522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0586    1.2243   -0.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1874   -1.2287    0.6274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9117   -1.7117    1.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2390   -0.4316    1.3301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9960   -1.6028   -0.0250 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