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
    2.1435   -0.7496   -2.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8138   -0.4711   -1.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    0.2911   -0.4142 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0706    0.6708    0.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1255    0.2155    1.6861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -0.5938    2.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0344   -1.8313    1.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1825    2.1547    0.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9392    2.6956   -0.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315   -1.6158   -1.7633 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7395    0.1815   -2.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9763   -0.9587   -3.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3638   -1.4464   -1.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2303    0.1501   -2.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8706    0.2307   -0.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8766   -0.9321    3.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9154   -0.0609    1.9233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0273   -2.2197    0.9108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5892   -1.6756    0.2336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5591   -2.6570    1.7144 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2460    2.8225    1.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3779    2.0461   -1.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1373    3.7533   -0.6585 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