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
    4.3178    0.4746    0.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9457   -0.1434    0.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9442    0.8048   -0.0612 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6246    0.3982    0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3754    1.3078   -0.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262    0.9458   -0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0805   -0.3367    0.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0647   -1.2677    0.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2406   -0.8581    0.4009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4521   -0.7833    0.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4397    0.0373    0.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6204    0.5386   -1.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0439   -0.1852    0.5626 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2765    1.4851    0.5024 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7928   -0.9905   -0.4918 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8030   -0.5436    1.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1365    2.3199   -0.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4906    1.6963   -0.3374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3474   -2.2723    0.7932 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0193   -1.5868    0.6115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6684   -1.7967    0.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4831   -0.3138    0.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3644    1.0697   -0.1697 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