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
   -3.2362    0.0149    0.8807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -0.8890   -0.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0697   -0.3490   -1.1458 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7517   -0.1345   -0.7846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2749   -0.4527    0.4686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0520   -0.2161    0.7769 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9266    0.3375   -0.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4547    0.6645   -1.4222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1391    0.4195   -1.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3117    0.5955    0.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8354    0.3218    1.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2481    0.4863    0.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5062    0.8237    0.8275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1886   -0.5561    1.8345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8314   -1.9302    0.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9946   -0.9644   -0.9392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9110   -0.8930    1.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3679   -0.4852    1.7731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1395    1.0990   -2.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2634    0.6608   -2.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9428    1.0278   -0.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2674   -0.1090    2.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8968    0.5280    1.5051 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