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
    4.3181   -0.2617    0.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8865   -0.2846   -0.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9847    0.0600    0.6686 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6398    0.0718    0.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1621   -0.2437   -0.8867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1861   -0.2273   -1.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0700    0.1053   -0.1715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6317    0.4209    1.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2689    0.3992    1.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4803    0.1184   -0.4733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3885    0.4286    0.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4446   -0.3689    1.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7692    0.6795   -0.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8406   -1.1090   -0.4455 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5733   -1.3007   -0.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7078    0.4183   -1.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9179   -0.4992   -1.6275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5440   -0.4706   -2.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2915    0.6963    1.9211 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0510    0.6558    2.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8077   -0.1379   -1.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4376    0.4208    0.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1891    0.6915    1.4331 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