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
   -2.3586   -1.2548   -1.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4951   -0.7511   -0.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5656    0.1561   -0.8352 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2693    0.6833    0.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6241    0.4534   -0.1145 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448   -0.2252    0.9026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6910   -1.5916    1.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0303    2.1509    0.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2468    2.8544   -0.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8542   -2.1984   -1.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1248   -0.4477   -1.7396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7642   -1.3000   -2.4999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2143   -0.3199    0.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9783   -1.5901    0.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0111    0.2285    1.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3181   -0.3441    0.6148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2814    0.3873    1.8524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5353   -2.1929    1.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3559   -2.1135    0.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8974   -1.5542    1.9675 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0742    2.6268    1.2661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3071    2.4272   -1.7697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4239    3.9156   -0.6526 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