Monomers

Acrolein diethyl acetal

Identifiers

IUPAC name
3,3-diethoxyprop-1-ene
InchI
InChI=1S/C7H14O2/c1-4-7(8-5-2)9-6-3/h4,7H,1,5-6H2,2-3H3
InchI Key
MCIPQLOKVXSHTD-UHFFFAOYSA-N
SMILES
CCOC(OCC)C=C
Canonical SMILES
CCOC(C=C)OCC
Isomeric SMILES
CCOC(C=C)OCC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H14O2
Heavy Atom Count
9
Molecular Weight
130.187
Exact Molecular Weight
130.0994
Valence Electrons
54
Radical Electrons
0
tPSA
18.46
MolLogP
1.5715
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 23 22  0  0  0  0  0  0  0  0999 V2000
    2.0339   -1.9009    1.6222 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4890   -0.9990    0.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5247   -0.2169    1.0713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1102    0.6818    0.2598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4719    0.4070    0.2621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9985    0.0908   -0.9629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3547   -1.1378   -1.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0405    2.0891    0.7127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2816    3.0598   -0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4628   -2.8298    1.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2077   -2.1677    2.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8034   -1.3776    2.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1947   -1.6483   -0.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3150   -0.3314    0.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3047    0.5702   -0.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0776   -0.1842   -0.7714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9849    0.9472   -1.6734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0721   -1.6324   -2.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1646   -1.8307   -0.6817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4135   -0.8670   -2.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4067    2.2902    1.6940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1989    4.1223    0.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6546    2.8651   -1.1078 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  1  0
  5  6  1  0
  6  7  1  0
  4  8  1  0
  8  9  2  3
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  4 15  1  0
  6 16  1  0
  6 17  1  0
  7 18  1  0
  7 19  1  0
  7 20  1  0
  8 21  1  0
  9 22  1  0
  9 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers