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
    2.1306   -1.2745    0.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2140    0.2134   -0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2071    0.9213    0.4957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0653    0.5114    0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7624    0.1987    1.2667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2814   -1.0862    1.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2278   -1.2328    0.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7676    1.6431   -0.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    2.8971   -0.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4080   -1.7955   -0.4794 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1385   -1.7228    0.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8755   -1.3482    1.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1757    0.5572    0.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2682    0.4132   -1.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0227   -0.3107   -0.6169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5203   -1.8736    1.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8842   -1.2375    2.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8630   -0.3123   -0.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7166   -1.4208   -0.8523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9460   -2.0706    0.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6337    1.4240   -1.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5118    3.1691    0.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8676    3.7372   -0.8618 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