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
    4.1997   -0.8922   -0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7245   -0.9286    0.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1154    0.2927   -0.2160 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    0.4415   -0.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0979    1.6179   -0.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2617    1.7459   -0.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0555    0.6936    0.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4029   -0.4840    0.5147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0282   -0.6090    0.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4947    0.8526    0.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3263   -0.0741    0.7847 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -1.9595   -0.2647 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7040   -0.5764    0.8343 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5313   -0.3001   -0.9858 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5388   -1.1324    1.1728 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2717   -1.7724   -0.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6772    2.4677   -0.7128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7936    2.6692   -0.4380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9691   -1.3558    0.8706 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4643   -1.5637    0.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9380    1.8293    0.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9467   -1.0451    1.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3872    0.0829    0.8802 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