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
   -2.1811   -1.0246   -0.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1438    0.4769   -0.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9156    1.0269   -0.8382 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0239    0.6293    0.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1447    0.0369   -0.4355 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3521   -1.2277    0.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6109   -1.8650   -0.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4194    1.8198    0.9522 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2801    3.0197    0.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9233   -1.4494    0.4741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2341   -1.3353   -0.7685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5116   -1.4181   -1.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5266    0.8387    0.4672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8773    0.8931   -1.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4796   -0.0497    0.8196 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5009   -1.8824   -0.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5796   -1.0958    1.1879 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5070   -1.4153   -0.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5740   -2.9312   -0.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5704   -1.7937   -1.6154 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8031    1.6504    1.9343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1142    3.1810   -0.5482 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414    3.9158    1.0068 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