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
   -4.2772   -0.3105    0.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8351    0.0529    0.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0021   -0.8741   -0.1769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6410   -0.5977   -0.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0995    0.5611    0.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2551    0.8198    0.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1307   -0.0551   -0.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6019   -1.2209   -0.8769 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2377   -1.4726   -0.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5596    0.2070   -0.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1566    1.2590    0.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8668    0.3304   -0.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4859   -1.3781    0.2744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6837   -0.0729    1.4783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7082    1.0393   -0.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4263    0.2050    1.4889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7877    1.2373    0.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6614    1.7172    0.7228 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2835   -1.9104   -1.3509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1283   -2.3937   -1.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1753   -0.5567   -0.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2387    1.3696    0.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6414    2.0440    0.6210 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