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
   -3.1835    1.2554   -0.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2155   -0.0689    0.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2069   -0.9411    0.0219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8475   -0.7285    0.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0059   -1.7323   -0.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597   -1.5991   -0.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9318   -0.4348    0.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0979    0.5600    0.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2921    0.4177    0.6471 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3776   -0.3755    0.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0435    0.6500    0.7613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1187    2.0525    0.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2916    1.3620   -0.9545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1116    1.4358   -0.8644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1910   -0.5583    0.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1299    0.0502    1.5304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4353   -2.6388   -0.7521 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080   -2.3994   -0.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5280    1.4726    1.1330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9288    1.2197    1.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9797   -1.1988   -0.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5095    1.4960    1.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1225    0.7037    0.7877 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