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
    3.3866   -0.8029    0.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1623   -0.2530   -0.3948 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2595    0.1004    0.5990 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0782    0.6254    0.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9538   -0.1913    0.5415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5975   -0.7144   -0.5632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7457   -1.6242   -0.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1734    2.0015    0.5608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3972    2.4679    0.7772 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5629   -0.1583    1.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2619   -0.8629   -0.3671 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0889   -1.8136    0.6913 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4174    0.5601   -1.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7322   -1.0750   -1.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1178    0.6462   -1.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9170   -1.2935   -1.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9949    0.1390   -1.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2703   -1.2709    0.7207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3660   -2.6584    0.0631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4805   -1.7313   -0.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6544    2.6725    0.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5900    3.4574    1.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2357    1.7795    0.5818 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