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
    4.2927   -0.4130    0.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0384    0.1333   -0.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9403   -0.4277    0.5936 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6169   -0.1821    0.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2546    0.6614   -0.7706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0790    0.8892   -1.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1080    0.2784   -0.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7393   -0.5638    0.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3988   -0.7908    0.9627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4908    0.5369   -0.7312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4899   -0.0079   -0.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2097   -0.1370    0.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1206   -1.5148    0.7148 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2888   -0.0510    1.7080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0551    1.2456    0.0061 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1026   -0.1302   -1.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0161    1.1498   -1.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3754    1.5491   -1.8901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4967   -1.0767    1.2457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1180   -1.4609    1.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6990    1.2111   -1.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5293    0.2084   -0.3950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4116   -0.6937    0.7267 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