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
   -2.5309    0.9764    0.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3001   -0.2529   -0.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2648   -1.0414    0.1067 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0319   -0.4640    0.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9282   -1.0964   -0.6368 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4882   -0.2742   -1.6033 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    0.9353   -1.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4466   -0.5198    1.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2312   -1.4891    1.9439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1838    1.8872   -0.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6387    1.1313    0.6114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1120    0.9556    1.5124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2178   -0.8894   -0.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1303    0.0144   -1.3763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1353    0.5857   -0.2205 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7413    0.0455   -2.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2564   -0.8779   -2.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9482    1.1288    0.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2804    0.8885   -1.1373 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8503    1.8561   -1.5951 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0897    0.2816    2.1891 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5446   -2.2504    1.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5738   -1.5308    2.9650 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