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
   -4.3440    0.3599    0.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8903    0.6604    0.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0609   -0.4045   -0.1117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6903   -0.3678   -0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0121   -1.4780   -0.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3885   -1.5074   -0.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1376   -0.4274   -0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4562    0.6709    0.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0720    0.6853    0.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5910   -0.5104   -0.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4014    0.4397    0.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5387   -0.7402    0.0834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9419    0.7045    1.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7848    0.9087   -0.7121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6570    1.6158   -0.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6910    0.8003    1.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5051   -2.3634   -0.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9186   -2.3934   -0.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0176    1.5326    0.7749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4436    1.5678    0.7315 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0594   -1.4378   -0.3901 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0185    1.3599    0.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4747    0.3245    0.3631 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