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
    3.8878   -0.5482   -0.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6325   -0.6738   -0.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9893    0.3326    0.3398 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6113    0.4786    0.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0964    1.5345    1.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2627    1.7625    1.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1195    0.8783    0.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6473   -0.2000   -0.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2773   -0.3839   -0.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5678   -1.1531   -0.7678 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4159    0.3535   -0.4454 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4136   -1.3190   -1.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1316   -1.6108   -0.6028 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8041    2.2244    1.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6566    2.6150    1.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1946    1.0258    0.7084 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1356   -1.2193   -0.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1562   -1.4439   -1.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5481   -0.6320   -0.9280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6880   -2.0211   -0.1083 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