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
   -0.5153   -3.4431    0.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6175   -2.0202   -0.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4555   -1.1436    0.6744 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5426    0.1720    0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6705    0.7927    0.6062 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2519    1.2278   -0.5783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5591    1.9122   -0.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6954    0.8756    0.9184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6753    2.1785    1.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5030   -3.8499    0.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9894   -3.4874    1.0886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1843   -4.0678   -0.5815 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2015   -1.8529   -1.1367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5603   -1.8353   -0.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7242    0.1873   -0.8083 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4074    0.3299   -1.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5470    1.8851   -1.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3969    3.0241   -0.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2238    1.7149   -1.2744 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1071    1.6335    0.5146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5826    0.3348    1.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    2.6879    1.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8253    2.7441    0.7441 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