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
   -2.2291   -1.3428   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1355   -1.4145    1.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483   -0.1644    1.3041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1003    0.4940    0.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1950    0.8721    0.5695 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1301    0.4109   -0.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1438   -1.0966   -0.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8684    1.7781    0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611    2.8987   -0.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2195   -1.2326    0.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2754   -2.2936   -0.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1407   -0.4656   -0.6648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6108   -1.7881    1.9803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3621   -2.1646    0.7859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1364   -0.1009   -0.7090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8637    0.8209   -1.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1538    0.7274   -0.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750   -1.3744   -1.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9416   -1.5405    0.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1585   -1.4377   -0.8065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9505    1.7520    0.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8016    2.8542   -0.4678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8249    3.8082   -0.3806 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