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
   -2.8922   -1.9800   -0.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9647   -0.8900    0.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1803   -0.4523   -0.5928 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3006    0.5453   -0.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9946    0.0368   -0.4148 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7037    0.0147    0.7758 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0779   -0.5490    0.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4166    1.7551   -1.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6073    2.5376   -1.3686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7837   -1.4681   -0.4390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3774   -2.6055   -0.7736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1889   -2.5684    0.8729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5050   -0.0177    0.8715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2928   -1.3613    1.2192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4026    0.8001    0.8550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7985    1.0627    1.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1960   -0.5725    1.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4025   -0.1582   -0.5306 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7776   -0.1432    1.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0668   -1.6545    0.4432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3765    2.0153   -1.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5636    2.2551   -0.9396 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4929    3.3980   -1.9824 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