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
    1.6056   -1.2326    1.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0518   -0.1536    0.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2671    0.1123   -0.8576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0091    0.5218   -0.6463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9235   -0.1084   -1.3939 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500   -0.6464   -0.9113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6702   -1.7363    0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0890    2.0391   -0.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2102    2.8775    0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8780   -0.8100    1.8770 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1384   -2.1016    0.6810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4415   -1.6312    1.7752 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1377    0.8221    0.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0914   -0.3977   -0.1213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2678    0.4792    0.4232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6896    0.1107   -0.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7205   -1.1047   -1.6752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8921   -2.3315   -0.4469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2540   -1.2229    0.9474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5444   -2.3681    0.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3894    2.3707   -1.8762 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5229    2.5693    1.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1548    3.9423   -0.1476 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