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
    3.2679   -0.4640   -0.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6165   -0.1365   -1.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3476   -0.7216   -1.7262 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3237   -0.4415   -0.8764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9038   -1.1044   -1.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9545   -0.8513   -0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8485    0.0947    0.8559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6389    0.7211    0.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4466    0.4805    0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0022    0.3314    1.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9449    1.1931    2.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5518   -1.0433    0.2469 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6722    0.4404    0.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1260   -1.1605   -0.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2447   -0.4577   -2.5451 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5732    0.9773   -1.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0149   -1.8506   -1.8124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9156   -1.3751   -0.2894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5130    1.4669    1.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3738    1.0086    0.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9369   -0.2230    1.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8049    1.3568    3.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0658    1.7587    2.8850 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