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
   -2.1446   -0.8695    1.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2922    0.1576   -0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1925    0.2983   -0.8564 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0313    0.6774   -0.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9472   -0.2809   -0.4911 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4985   -0.8050    0.6556 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5425   -1.8280    0.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5097    1.9544   -0.8308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0903    2.3686   -2.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6360   -1.7730    0.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5813   -0.4662    1.9154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1396   -1.2298    1.3711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1396   -0.1549   -0.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6166    1.1009    0.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1639    0.8141    0.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7170   -1.1995    1.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0279   -0.0096    1.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1399   -2.8559    0.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0235   -1.6280   -0.6762 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3508   -1.8287    1.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2416    2.4810   -0.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6473    1.7875   -2.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4959    3.2893   -2.4160 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