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
   -2.2303   -1.6873   -1.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2591   -1.0136   -0.3817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7944    0.1619   -0.9531 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1011    0.8094   -0.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3382    1.0119   -0.6647 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4108    0.5036    0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3622   -0.9830    0.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5317    2.0960    0.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3391    2.0847    1.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2498   -2.7736   -1.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2054   -1.2025   -1.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8623   -1.5911   -2.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7619   -0.7756    0.5814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4021   -1.6782   -0.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414    0.2255    0.8286 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3882    0.7911   -0.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    0.9377    1.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1901   -1.5123   -0.7783 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6457   -1.2737    0.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3669   -1.3228    0.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3646    3.0311   -0.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5738    1.1786    1.9527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8346    2.9823    1.7572 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