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
    3.0830   -0.8772    1.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1585   -0.5178   -0.3017 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2757    0.5182   -0.6254 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9070    0.5062   -0.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2382   -0.5960   -0.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1354   -0.5464    0.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9002    0.5464   -0.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2037    1.6470   -0.7439 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1657    1.6288   -0.8616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3461    0.6098   -0.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0726   -0.3948    0.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0992   -0.6945    1.6106 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8857   -1.9469    1.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3170   -0.2340    1.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9099   -1.4629   -0.8670 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2087   -0.2404   -0.5869 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7973   -1.4975    0.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6337   -1.4326    0.4814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7764    2.5421   -1.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6633    2.5234   -1.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8393    1.5208   -0.4553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1710   -0.2915    0.3642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6308   -1.3101    0.6162 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