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
    1.9039   -1.8302    0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2601   -0.6291   -0.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1997    0.1021   -1.2399 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3846    0.6562   -0.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9095    0.2047   -0.5128 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3736   -0.3678    0.6604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7871   -0.8906    0.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4286    2.1611   -0.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6863    2.8227   -0.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8325   -2.4393    0.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6258   -1.5139    1.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1007   -2.4418   -0.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0079   -0.0346   -0.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7597   -1.0524   -1.7114 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6909    0.4090    0.7631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3127    0.3921    1.4649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7538   -1.2403    0.9270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0048   -1.4870    1.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8686   -1.5547   -0.3396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5340   -0.0797    0.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3716    2.6120   -0.5281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6059    2.2959    0.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7296    3.9055   -0.1894 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