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
    4.2049   -0.3836    0.9616 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7254   -0.6396    0.9721 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0888    0.2877    0.1149 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7055    0.2031   -0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0660    1.0908   -0.8284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3071    1.0153   -0.9533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0922    0.0989   -0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3978   -0.7913    0.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0321   -0.7371    0.6763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5440    0.0021   -0.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2000    0.8273   -1.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7666   -1.2714    1.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5267   -0.1314   -0.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3997    0.4427    1.6834 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3620   -0.4658    2.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5427   -1.6890    0.6392 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5808    1.8485   -1.3875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7907    1.7285   -1.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0056   -1.5203    1.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4780   -1.4520    1.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0661   -0.7778    0.1591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7383    1.5955   -1.7674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2731    0.7189   -1.2489 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