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
    3.4290   -0.7311   -0.3032 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9801   -0.6740    0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2748    0.2528   -0.7083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0440    0.3003   -0.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9247    0.0416   -1.3809 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7806   -1.0152   -1.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5938   -0.6844    0.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3525    1.6765    0.1542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9695    2.5748   -0.5997 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6171   -1.3590   -1.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9847   -1.2036    0.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8715    0.2641   -0.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9132   -0.3849    1.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5441   -1.6791   -0.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2121   -0.4071    0.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2525   -1.9832   -1.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4981   -1.0617   -1.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6924    0.4094    0.2672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6271   -1.0825    0.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1450   -1.1007    1.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0657    1.9556    1.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2694    2.3265   -1.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1872    3.5648   -0.2311 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