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
    3.2793    0.9953   -0.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1369   -0.4828   -0.5674 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1216   -1.0442    0.1918 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7922   -0.7524    0.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0643   -1.4437    1.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4099   -1.1792    1.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9625   -0.2130    0.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0937    0.4331   -0.6177 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2764    0.2048   -0.6718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3992    0.0183    0.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0011    0.9053   -0.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1723    1.5361   -1.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2836    1.2538    0.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4739    1.3975    0.3464 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0218   -0.6586   -1.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1104   -0.9538   -0.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3968   -2.1909    1.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0554   -1.7195    1.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4829    1.1934   -1.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9255    0.7412   -1.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9879   -0.5609    0.9656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4522    1.5055   -1.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0816    1.0145   -0.3774 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