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
   -2.0742    0.9854    1.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3339    1.4093   -0.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9454    0.3744   -1.0370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0865   -0.5492   -0.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0736   -0.5580   -1.0319 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2453   -0.2103   -0.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    1.2565   -0.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8703   -1.7820   -0.2603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6109   -2.9697   -0.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9589    0.3695    0.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875    1.9336    1.4630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4490    0.5366    1.7857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5159    2.0887    0.0775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0391    2.0332   -0.8167 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688   -0.1606    0.6192 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7200   -0.7540    0.2459 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0040   -0.2493   -1.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7086    1.4085    0.8021 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8030    1.8863   -0.9433 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2893    1.6286   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7787   -1.6685    0.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2785   -3.7910   -0.5052 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2746   -3.2180   -1.3139 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