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
    2.8422    1.3647   -1.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8152    0.7223   -0.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.0480   -0.9119 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0943   -0.5547   -0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3658   -0.0546   -0.3340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9101    0.5419    0.8036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3036    1.0349    0.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1374   -2.0213   -0.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9111   -2.7024   -0.6581 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0192    0.6858   -1.8882 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7862    1.5684   -0.4633 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4472    2.3098   -1.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3553   -0.0137    0.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2814    1.4580    0.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1568   -0.3322    0.9578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0986   -0.2818    1.5254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2899    1.3466    1.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7984    0.2465   -0.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2323    2.0014   -0.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9276    1.1846    1.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0463   -2.5396   -0.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8577   -2.2346   -0.9101 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8651   -3.7781   -0.7543 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