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
    2.4051   -1.8254    0.6982 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1356   -0.9863    0.7776 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2205   -0.0632   -0.2457 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0943    0.7454   -0.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5550    0.6639   -1.4219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8425    0.2278   -1.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9955   -1.1570   -0.9076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5649    2.1417    0.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0368    2.8190    1.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2527   -1.3207    1.2141 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2082   -2.7519    1.2569 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7233   -1.9835   -0.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0576   -0.4887    1.7734 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3067   -1.6899    0.6827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5732    0.3894    0.5891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1432    0.1792   -2.5278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5599    0.9501   -0.9634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8856   -1.6865   -1.3103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1149   -1.7487   -1.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0298   -1.2108    0.1971 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3739    2.5841   -0.4746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8474    2.3734    1.5525 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2412    3.8385    1.2890 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