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
   -4.2184    0.4654   -0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6895    0.5680   -0.9269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1315   -0.2501    0.0823 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7639   -0.2952    0.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0678    0.4305   -0.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4380    0.3541   -0.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0263   -0.4205    0.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1764   -1.1483    1.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1873   -1.0958    1.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4682   -0.4840    0.6884 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3020    0.1861   -0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5501    1.0981   -0.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5792    0.8785   -1.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5124   -0.5959   -0.7591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4668    1.6362   -0.7096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3078    0.2786   -1.9336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2866    1.0697   -1.3855 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0754    0.9455   -1.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6692   -1.7615    2.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8221   -1.6745    1.8589 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8830   -1.1318    1.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0251    0.8418   -0.8611 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3843    0.1049    0.0976 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