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
   -4.3354    0.0094    0.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9331    0.1319   -0.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9804   -0.1663    0.7034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6325   -0.1100    0.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3301   -0.3907    1.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6923   -0.3307    1.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1029    0.0184   -0.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1123    0.3057   -1.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2311    0.2418   -0.8384 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5019    0.0955   -0.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4523   -0.1588    0.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6916    1.0343    0.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9545   -0.4702   -0.5602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4176   -0.5888    1.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7283    1.1797   -0.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7782   -0.4915   -1.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0392   -0.6683    2.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4325   -0.5550    1.8255 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4260    0.5826   -2.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9423    0.4803   -1.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7257    0.3860   -1.5727 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5194   -0.0940    0.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2905   -0.4414    1.3152 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