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
   -2.0286   -1.6852   -0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3565   -0.3643    0.5497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2899    0.3377    1.0423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3378    0.6793    0.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9014    0.2178    0.5511 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4328   -0.6037   -0.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7852   -1.1662   -0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2867    2.1742   -0.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7141    2.8926    0.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6873   -1.5223   -1.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2239   -2.2320    0.4597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9139   -2.3506   -0.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8584    0.2448   -0.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1429   -0.5019    1.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6388    0.2700   -0.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7672   -1.4344   -0.6153 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5645   -0.0202   -1.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1334   -1.7302   -0.9551 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5208   -0.3574    0.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7583   -1.9050    0.7722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0813    2.6756   -0.6125 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    2.4252    0.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7433    3.9562    0.2330 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