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
    3.3731   -0.4001   -0.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9226   -0.7671    1.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6123   -1.2257    0.9843 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5067   -0.5219    0.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6323    0.7782    0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4866    1.4692   -0.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7516    0.8686   -0.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8319   -0.4344    0.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -1.1471    0.5811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8936    1.6487   -0.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1245    1.1940   -0.7797 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8130    0.6060   -0.3945 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1812   -1.1398   -0.6186 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5843   -0.4986   -1.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0120    0.1178    1.7239 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5538   -1.5495    1.5029 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5848    1.2777    0.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3935    2.4903   -0.6322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8087   -0.9390    0.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7884   -2.1725    0.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7185    2.6746   -1.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3327    0.1889   -0.4626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9125    1.8390   -1.1312 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