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
   -1.8989   -2.4255    0.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1633   -1.2005    0.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4597   -0.5723    1.0727 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1929    0.5464    0.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5530    0.5358    0.7740 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3139    0.7073   -0.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0899   -0.3648   -1.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4272    1.7946    1.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4568    2.3811    0.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2268   -3.3075    0.4624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2050   -2.2832    1.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8156   -2.5221   -0.0472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8767   -0.4632   -0.3714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4558   -1.4971   -0.7399 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0226    0.6764   -0.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0016    1.6780   -0.8518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3891    0.7831   -0.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9776   -1.3711   -0.9463 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9844   -0.3947   -2.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2348   -0.1141   -2.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0185    2.2082    2.0479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8926    3.2694    1.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8629    1.9358   -0.3461 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