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
   -4.2406   -0.6925   -0.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7334   -0.8160   -0.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1019    0.3679    0.0445 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7225    0.4106    0.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0469   -0.6555   -0.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4447   -0.5805   -0.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0629    0.5714    0.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760    1.6633    0.5122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862    1.5520    0.4721 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5066    0.7425    0.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3151   -0.2154   -0.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6978   -1.6041    0.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5780    0.1971    0.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5869   -0.6270   -1.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3882   -1.1263   -1.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4573   -1.6172    0.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4613   -1.5584   -0.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0160   -1.4424   -0.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7710    2.5874    0.8459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6709    2.4299    0.7892 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9392    1.6701    0.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9442   -1.1588   -0.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4023   -0.0982   -0.1241 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