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
   -3.3022   -0.8621   -0.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0355   -0.1020   -0.6937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2676   -0.0726    0.4389 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0649    0.6006    0.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9515   -0.3305    0.5321 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759   -0.4868   -0.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7820   -1.4953   -0.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0518    1.7843    1.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1304    1.9750    1.8892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1750   -0.4406   -0.9540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5133   -0.7724    0.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2089   -1.9444   -0.6301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2170    0.8826   -1.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4788   -0.7137   -1.4555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0300    0.9692   -0.7646 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9846   -0.9253   -1.4136 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0988    0.4740   -0.9877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4087   -2.3839    0.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2065   -1.7720   -1.4027 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5362   -0.9764    0.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7447    2.5020    1.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9392    1.2557    1.8566 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2721    2.8345    2.5447 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