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
    3.0080    0.5938    1.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1635    0.3678   -0.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2934   -0.6311   -0.6236 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9327   -0.5056   -0.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3027    0.6001   -0.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0900    0.6597    0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8852   -0.3747   -0.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2223   -1.4866   -0.8385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1499   -1.5636   -0.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3318   -0.4195   -0.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0336    0.5786    0.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9349    0.2000    1.7521 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8766    1.6475    1.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1433    0.0245    1.6787 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9568    1.3562   -0.7007 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2139    0.0545   -0.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    1.4624    0.3328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5755    1.5445    0.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7762   -2.3609   -1.1916 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6334   -2.4418   -1.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8803   -1.2902   -0.6349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5493    1.4609    0.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1064    0.5236    0.2045 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