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
    3.4030   -0.4721   -0.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0568    0.3135    0.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8725    0.9795    0.2531 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6202    0.3374    0.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5798   -1.0400    0.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6501   -1.6761    0.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8180   -0.9193    0.4572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7928    0.4572    0.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5457    1.0738    0.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0541    1.2600    0.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3436   -1.0145   -0.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7099   -0.5699   -1.5747 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7411    0.4177    1.0784 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5156   -1.5784    0.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6937   -2.7654    0.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7967   -1.4024    0.5103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5139    2.1396    0.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7807    2.2898    0.7283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3725    1.3635   -0.6817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8244    0.8060    1.0073 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