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
   -2.3302    0.6194    0.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7673    1.2337   -0.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0400    0.3740   -1.4148 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0614   -0.1801   -0.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2612    0.1355   -1.3828 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1370    0.8376   -0.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4890    0.0513    0.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1775   -1.6374   -0.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4862   -2.1950    0.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8108   -0.3651    0.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1693    1.2951    0.9541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6144    0.6122    1.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2062    2.1421   -0.3293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6240    1.5950   -1.2392 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0874    0.2267    0.2407 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6579    1.7897   -0.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0616    1.1288   -1.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7371    0.2007    1.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5281    0.3163    1.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5551   -1.0527    0.4547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1185   -2.3285   -1.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5624   -1.5441    1.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6691   -3.2550    0.6337 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