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
   -3.2095   -1.1736   -0.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1412   -0.2540    0.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0487   -0.3374   -0.7480 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0135    0.4690   -0.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1623   -0.2691   -0.0956 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5123   -0.1324    1.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7469   -0.8970    1.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2619    1.5629   -1.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2688    1.5212   -2.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6894   -2.0376   -0.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7779   -1.5794    0.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8777   -0.6421   -1.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5302    0.7911    0.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9067   -0.5542    1.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3224    0.9724    0.5890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6698   -0.5520    1.8561 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6642    0.9372    1.5027 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5050   -1.9288    1.9396 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4725   -0.9520    0.7590 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2429   -0.3809    2.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4053    2.4145   -1.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4240    2.3288   -2.8989 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9648    0.6934   -2.2341 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