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
    3.2614   -1.1359   -0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0513   -0.3995   -0.5971 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1737   -0.2044    0.4730 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0145    0.4577    0.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1018   -0.3174    0.4076 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7647   -0.5918   -0.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0010   -1.4329   -0.5615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0572    1.7693    0.8158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7014    2.7920    0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1260   -1.1103   -0.6738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8911   -2.1705    0.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4438   -0.6574    0.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4394    0.5841   -0.9685 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6279   -0.9850   -1.4123 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.6623   -0.9951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0556    0.3867   -1.2371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0394   -1.0626   -1.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2070   -1.9893   -1.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8510   -2.1995    0.2236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8330   -0.7484   -0.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4212    1.8799    1.7725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7349    3.7238    0.8291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2036    2.7490   -0.6700 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