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
   -3.0349   -1.5572    0.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6126   -1.0598    0.5647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2477   -0.2611   -0.4873 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0099    0.2782   -0.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8151    0.0231   -1.4820 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0052   -0.5957   -1.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8852    0.1948   -0.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1414    1.7571   -0.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2872    2.3279    0.9505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1640   -1.7929   -0.8034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3001   -2.4100    0.9280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7775   -0.7567    0.5002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9452   -1.9350    0.7178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6566   -0.5330    1.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4809   -0.0750    0.5637 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8165   -1.5865   -0.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5677   -0.7141   -2.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5517    0.8990   -0.8126 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3172    0.8096    0.4683 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5390   -0.5193    0.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1255    2.3416   -1.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3903    3.4051    0.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3053    1.7600    1.8678 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