Monomers

4-Ethoxystyrene

Identifiers

IUPAC name
1-ethenyl-4-ethoxybenzene
InchI
InChI=1S/C10H12O/c1-3-9-5-7-10(8-6-9)11-4-2/h3,5-8H,1,4H2,2H3
InchI Key
OBRYRJYZWVLVLF-UHFFFAOYSA-N
SMILES
CCOc1ccc(cc1)C=C
Canonical SMILES
CCOC1=CC=C(C=C1)C=C
Isomeric SMILES
CCOC1=CC=C(C=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H12O
Heavy Atom Count
11
Molecular Weight
148.205
Exact Molecular Weight
148.0888
Valence Electrons
58
Radical Electrons
0
tPSA
9.23
MolLogP
2.7283
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

 23 23  0  0  0  0  0  0  0  0999 V2000
    4.2704   -0.0714    0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8056    0.1265    0.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0325   -0.3369   -0.5599 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6612   -0.2535   -0.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1530   -0.6874   -1.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5153   -0.6080   -1.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1232   -0.0674   -0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207    0.3701    0.6901 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0548    0.2776    0.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5736    0.0153   -0.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1917    0.5090    0.7375 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5275   -1.1386    0.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4861    0.0742   -0.8627 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9226    0.5696    0.8471 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6013    1.2055    0.6930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5088   -0.4284    1.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3045   -1.1219   -2.4348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1540   -0.9586   -2.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7354    0.8078    1.6122 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6796    0.6345    1.4481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1318   -0.3522   -1.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708    0.5533    0.7382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6855    0.8808    1.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  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
  7 10  1  0
 10 11  2  3
  9  4  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  5 17  1  0
  6 18  1  0
  8 19  1  0
  9 20  1  0
 10 21  1  0
 11 22  1  0
 11 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers