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
    4.3370   -0.0001    0.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9387    0.5686    0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0294   -0.4837    0.2587 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6427   -0.3038    0.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1484    0.9668    0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2191    1.1290   -0.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1196    0.0877    0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6172   -1.1757    0.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2318   -1.3630    0.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5639    0.3274   -0.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4737   -0.6079    0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0110    0.6637   -0.2826 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3076   -1.0154   -0.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6557   -0.0753    1.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8311    1.3103    1.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8554    1.0552   -0.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8327    1.8091   -0.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6474    2.1217   -0.1656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2503   -2.0462    0.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1656   -2.3484    0.3827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9314    1.3660   -0.1766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1871   -1.6313    0.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5142   -0.3545   -0.0565 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