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
   -4.2711   -0.1407    0.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8856   -0.5067    0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9472    0.3778    0.5948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136    0.2605    0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3122    1.1159    0.8227 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6777    1.0225    0.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0572    0.0213   -0.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1227   -0.8413   -0.8728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.7238   -0.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4640   -0.1215   -0.6726 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3691    0.6624   -0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7706   -1.0222    1.0193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2251    0.6715    1.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9088    0.1678   -0.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8289   -0.4313   -1.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6413   -1.5719    0.2792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0094    1.9047    1.5052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3469    1.7391    0.9948 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4903   -1.6102   -1.5468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9167   -1.4281   -1.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7488   -0.9202   -1.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4254    0.5200   -0.4737 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1988    1.4704    0.4835 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