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
   -3.2611    0.7543   -0.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0119   -0.0909   -0.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1804    0.2133    0.2941 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0141   -0.5041    0.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1221    0.3440    0.2583 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9562    0.0263   -0.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1533    0.9148   -0.8905 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0783   -1.2622    1.5502 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1427   -0.6067    2.6868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7446    0.9443   -1.5978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9574    0.1591    0.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9851    1.6886   -0.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    0.1772   -1.7359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2987   -1.1635   -0.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0931   -1.1909   -0.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2832   -1.0293   -0.7077 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3361    0.1698   -1.7457 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4297    1.1514   -1.9524 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0159    0.4533   -0.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9629    1.8784   -0.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0719   -2.3290    1.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1890   -1.1715    3.6059 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1530    0.4735    2.7753 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