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
   -2.0733   -2.3363   -0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2705   -1.0805   -0.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5825   -0.6234    0.7849 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1211    0.5274    0.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4478    0.3559    0.7417 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3443    0.5411   -0.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1017   -0.4138   -1.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3944    1.6238    1.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0873    2.6556    0.8668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1640   -2.1234    0.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7901   -2.7556    0.9919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9512   -3.1068   -0.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6407   -1.2911   -1.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0248   -0.3145   -0.6494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0294    0.7897   -0.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3722    0.3450    0.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3589    1.5782   -0.6738 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0492   -0.6515   -1.9690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7504   -1.4103   -1.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3950   -0.0240   -2.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1725    1.5410    2.3538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3102    2.7397   -0.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4496    3.4338    1.5178 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