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
    3.5954    0.8857    0.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6656    0.3523   -0.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0219   -0.8057    0.0319 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6335   -0.7961    0.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0089   -1.9335    0.6172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3848   -1.9817    0.7811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1180   -0.8505    0.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5048    0.3106    0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1371    0.3161   -0.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3406    1.5124   -0.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8499    0.4372    1.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1176    1.7748    0.0437 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3827    0.7798   -1.3700 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5561   -2.8464    0.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8637   -2.9022    1.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1974   -0.8615    0.6123 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3692    1.2223   -0.4492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8799    2.4201    0.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3998    1.6139   -1.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3571    1.3524    0.1439 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