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
   -1.2688   -0.9807   -1.8913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6572    0.4436   -1.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6032    1.1352   -1.0474 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2024    0.5651    0.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1050    0.1611    0.1820 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3533   -1.1486    0.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8804   -1.3146    0.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5107    1.4702    1.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0340    2.6544    1.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8342   -1.3373   -2.8009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2001   -0.9625   -2.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4665   -1.6725   -1.0725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0499    0.9063   -2.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5195    0.3852   -0.8714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8346   -0.3264    0.3235 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9945   -1.8406   -0.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9784   -1.4963    1.4374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2127   -1.1078    1.4983 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1058   -2.3743    0.2634 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3555   -0.6052   -0.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2853    1.1136    2.3017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2387    3.2680    2.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2804    3.0640    0.1894 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