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
    3.2030    0.8777   -0.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1457    0.0721    0.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0496    0.2860    1.2916 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7238    0.0931    0.9408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3186    0.3295    1.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6374    0.1429    1.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9651   -0.3114    0.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9430   -0.5518   -0.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4004   -0.3529   -0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3620   -0.5058   -0.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7718   -0.9270   -1.3248 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2991    1.5417   -0.8758 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3080    0.3066   -1.7041 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1081    1.5537   -0.7431 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1352   -1.0208    0.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0893    0.2151    1.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0320    0.6851    2.8073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4355    0.3407    2.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1413   -0.9062   -1.6938 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1725   -0.5623   -1.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1582   -0.3033    0.5769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0610   -1.1469   -2.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8087   -1.0685   -1.5711 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