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
    1.6814   -0.4064    1.5808 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7624   -0.4002    0.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0268    0.6270   -0.4930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3222    0.5869   -0.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0961    0.4612   -1.3253 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9145   -0.6543   -1.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1470   -1.9540   -1.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6365    1.8173    0.5874 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2098    2.8384    0.6867 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7331    0.6365    1.9123 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5687   -0.9577    1.9639 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7737   -0.9452    1.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5567   -1.3922   -0.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8335   -0.1775   -0.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5725   -0.2999    0.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454   -0.6669   -2.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6800   -0.5953   -0.5434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2331   -1.9164   -1.8634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8673   -2.2070   -0.2027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8236   -2.7746   -1.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5783    1.9306    1.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1672    2.7209    0.1503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0031    3.7288    1.2433 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