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
   -3.2675    0.2557   -0.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1871   -0.1688    0.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0869    0.4486    1.1650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8084    0.2108    0.7219 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2631    0.8669    1.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5708    0.6704    0.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8622   -0.1899   -0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7991   -0.8426   -0.7071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5135   -0.6467   -0.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2240   -0.4379   -0.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2621    0.1443   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    0.8416   -1.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4676   -0.6281   -1.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1240    0.9895   -0.9375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0953    0.1282    1.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1212   -1.2937    0.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0697    1.5441    2.1545 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3864    1.2046    1.4614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9997   -1.5331   -1.5337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2742   -1.2009   -0.8393 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3740   -1.1286   -1.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2714   -0.0755   -0.3965 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2594    0.8410    0.7973 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