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
    1.8987   -1.5919   -0.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1862   -0.1343   -0.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0901    0.6670   -0.6076 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1645    0.6637    0.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0486    0.2101   -0.0939 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5482   -0.9022    0.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8684   -1.2435   -0.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1023    2.0204    0.9525 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3088    3.0879    0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8737   -2.1325   -0.3392 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517   -1.9422   -1.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897   -1.8021    0.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8181   -0.0415   -1.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7798    0.2793    0.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4456   -0.0068    1.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8965   -1.7909    0.4558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7402   -0.6704    1.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6441   -0.5183    0.1896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6513   -1.1150   -1.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1766   -2.2753    0.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6361    2.1267    1.8744 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8613    3.0079   -0.6494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1444    4.1040    0.6387 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