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
   -4.2663   -0.5354   -0.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8335   -0.8031    0.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0228    0.1566   -0.5136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6656    0.2717   -0.3939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0176    1.2716   -1.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3752    1.4391   -0.9519 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0941    0.5223   -0.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4144   -0.4851    0.4826 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0251   -0.6213    0.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5439    0.6937   -0.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3017   -0.1075    0.6393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4170   -1.0367   -1.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9913   -0.8979    0.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3690    0.5525   -0.5375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5632   -1.8237   -0.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7659   -0.8364    1.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5233    1.9893   -1.6475 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9144    2.2352   -1.4614 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9299   -1.2078    1.0971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4518   -1.4431    0.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0071    1.5151   -0.6106 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8666   -0.9281    1.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3796    0.0789    0.6639 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