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
    2.5181   -1.8737    0.7759 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5536   -0.6872    0.6205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7148   -0.9777   -0.4455 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1655    0.0866   -0.6151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4547   -0.3667   -0.5125 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2424    0.2168    0.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7783    0.0920    1.8501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0648    0.7334   -1.9584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0100    2.0498   -2.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4364   -1.4281    1.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7414   -2.2207   -0.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -2.6680    1.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9608   -0.6901    1.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1099    0.2588    0.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0132    0.8614    0.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2765   -0.1995    0.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3380    1.2951    0.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0982    0.9072    2.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6834    0.1962    2.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3648   -0.9107    2.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2939    0.1550   -2.8431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2418    2.6316   -1.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1539    2.5386   -3.0536 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