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
   -2.5896   -2.1392   -0.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6860   -0.9629   -0.8298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1200   -0.5326    0.3689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2737    0.5559    0.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9877    0.1800    0.5588 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8289    0.2164   -0.5505 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -0.2010   -0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7594    1.7633    0.9095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2948    2.1281    2.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1433   -2.6870    0.3074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6381   -2.8154   -1.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5891   -1.7336   -0.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2275   -0.1459   -1.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8465   -1.2967   -1.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2838    0.7863   -0.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -0.4821   -1.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9265    1.2481   -0.9709 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8860   -0.2841   -1.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2190   -1.1295    0.4681 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    0.6461    0.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5231    2.3531    0.4390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6900    3.0102    2.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4697    1.5223    2.5406 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