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
    2.6115    0.1200   -0.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1514    0.4810    0.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9164    1.0686    0.3806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0909    0.3107   -0.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1534    0.0891    0.6917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3167   -1.2801    0.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4772   -1.5770    1.8089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5738    0.9293   -1.4398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8266    2.2288   -1.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0307   -0.9191   -0.9851 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4254    0.8167   -1.2653 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7517    0.1720   -1.6364 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9088    1.1620    0.8735 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1514   -0.4304    1.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3410   -0.6680   -0.4387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4675   -1.7328   -0.1185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4014   -1.6867    1.3746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2698   -0.7893    1.7324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9930   -2.5348    1.5455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1374   -1.6815    2.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7156    0.3549   -2.3369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1701    2.7220   -2.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6951    2.8447   -0.5571 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