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
    4.3781    0.0347   -0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9681   -0.3771   -0.5497 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0109    0.3078    0.2170 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6598    0.1565    0.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0460   -0.7110   -0.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3269   -0.8172   -0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1541   -0.0594    0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5524    0.8046    0.9206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1596    0.8988    0.9475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5862   -0.1708    0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4457    0.4924    0.7424 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0562   -0.5234   -0.8825 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5329    1.1065   -0.4145 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6038   -0.2232    0.8625 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8155   -0.3330   -1.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8860   -1.4629   -0.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429   -1.3219   -1.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8387   -1.4919   -1.4701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1570    1.4204    1.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2882    1.5912    1.6498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0062   -0.8846   -0.7224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5247    0.3500    0.6488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1369    1.2138    1.4820 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