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
    2.4664   -0.5861   -0.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1951   -0.0130    0.7452 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2073    0.9339    0.6336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0038    0.4949    0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0418    0.6859    1.0714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6034   -0.5655    1.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1522   -1.2724    0.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2704    1.1486   -1.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0225    2.2508   -1.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5019   -0.9867   -0.6951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7437   -1.3698   -0.9298 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4147    0.2096   -1.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1334    0.4549    1.0904 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9300   -0.7945    1.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0929   -0.5978   -0.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4067   -0.4483    2.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7780   -1.1578    1.8687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2761   -1.3240    0.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8550   -0.8150   -0.7365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8021   -2.3227    0.2379 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1634    0.7080   -2.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1940    2.6980   -2.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4433    2.6689   -0.3247 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