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
    3.8695   -0.2748   -0.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9440   -0.0457    0.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7994   -0.8236    0.3751 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -0.1912    0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4654    1.1771    0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7648    1.7871   -0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8956    0.9955   -0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8109   -0.3772    0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5769   -0.9589    0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0672   -1.1852   -0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7717    0.3488   -0.4713 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7412   -1.0433   -1.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0158    0.7085    1.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3810    1.7819    0.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8160    2.8772   -0.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8826    1.4632   -0.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5581   -2.0433    0.2819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9941   -2.0898    0.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2973   -1.5471   -1.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8869   -0.5592    0.4114 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