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
    3.0805   -1.3857   -0.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9923   -0.7514    0.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1664   -0.0474   -0.5010 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1166    0.5876    0.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0624    0.1285   -0.3980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8878   -0.5137    0.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1297   -0.9520   -0.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2833    2.0533   -0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4030    2.5971   -1.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6624   -2.1305    0.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5568   -1.8158   -1.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7596   -0.5730   -0.7904 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4328   -1.5826    0.8670 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4158   -0.0300    1.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2058    0.3690    1.2392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2113    0.2481    1.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3977   -1.3711    1.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8143   -1.4377   -1.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6662   -0.0376   -0.5632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7063   -1.6563    0.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9647    2.6487    0.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0664    2.0076   -1.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2919    3.6448   -1.2689 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