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
    3.1610   -1.1153   -0.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7392   -0.8485   -0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2101    0.2842   -0.7294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0771    0.4491   -0.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0365    0.4435   -1.2662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0301   -0.4781   -1.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7652   -0.2348    0.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1507    1.7524    0.4198 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1783    1.8465    1.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625   -1.0895    0.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2433   -2.0541   -1.1301 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4654   -0.2595   -1.1997 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6867   -0.6873    0.9799 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1079   -1.7513   -0.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3604   -0.3463    0.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6997   -1.5290   -1.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7635   -0.3135   -1.9484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2159    0.4266    0.8752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7460    0.2795   -0.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9601   -1.1767    0.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4774    2.6195   -0.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5066    0.9854    2.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1214    2.7972    2.1787 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