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
    4.3188    0.1482   -0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9052   -0.0611    0.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9999    0.2504   -0.6042 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6347    0.1768   -0.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1628    0.5133   -1.5836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5340    0.4503   -1.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1531    0.0345   -0.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3884   -0.3081    0.7425 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0101   -0.2305    0.6408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5900   -0.0420   -0.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1968   -0.4281    0.8408 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8062    0.8722    0.6036 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2962    0.6283   -1.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8832   -0.8080   -0.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6969    0.5128    1.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7709   -1.1578    0.6375 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2581    0.8467   -2.5348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1962    0.7045   -2.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7927   -0.6421    1.6971 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6445   -0.4925    1.4772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1804    0.2304   -1.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2942   -0.4712    0.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7361   -0.7272    1.7716 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