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
    1.4233   -0.8258    2.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0188   -0.4218    0.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4191    0.7000    0.2176 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0607    0.5377   -0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2685    0.6441   -1.3568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7800   -0.5093   -1.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0336   -1.0041   -1.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7372    1.4868    0.7954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1714    2.3653    1.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4158   -0.3994    2.2602 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3913   -1.9426    2.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0525   -0.4673    2.9347 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0408   -1.2802    0.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0806   -0.1581    0.9523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1796   -0.5150    0.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -1.3025   -1.9021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9844   -0.3004   -2.9792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9551   -0.7799   -1.8632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9722   -2.1287   -1.2371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1954   -0.6781   -0.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8153    1.4797    0.7396 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9157    2.4408    1.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7511    3.0591    2.2071 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