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
    4.3248    0.4067   -0.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9548   -0.2335   -0.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0112    0.6852    0.1402 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6546    0.3706    0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3049    1.2285    0.5937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6614    0.8867    0.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1053   -0.3021    0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1203   -1.1638   -0.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2130   -0.8223   -0.4308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5135   -0.6632   -0.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4866    0.0972    0.4019 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5195    1.0451   -1.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3022    1.1104    0.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0772   -0.3671   -0.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7408   -0.4369   -1.4431 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8871   -1.2043    0.1796 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0016    2.1698    1.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3961    1.5821    0.9375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4585   -2.1065   -0.9055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9801   -1.5002   -0.8191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7690   -1.6195   -0.4797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3346    1.0649    0.8524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5167   -0.2276    0.3326 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