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
    3.2642    0.2282    0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0668   -0.8292   -0.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9032   -1.5742   -0.0154 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6311   -1.0227   -0.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5072   -1.8045    0.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7734   -1.2943    0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9846    0.0730   -0.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8844    0.8795   -0.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3936    0.3153   -0.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3269    0.6114   -0.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5583    1.8659   -0.4148 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4681    1.1995    0.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4220    0.3679    1.5936 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1494   -0.0065    1.5495 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0989   -0.3702   -1.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9478   -1.5119   -0.1065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3926   -2.8754    0.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6616   -1.9311    0.1139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9619    1.9556   -0.4719 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2236    0.9950   -0.3745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1513   -0.0904   -0.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7898    2.5917   -0.5319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5767    2.2275   -0.4492 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