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
   -2.6169   -1.7297    0.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4485   -0.8464    0.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9701   -0.2473   -0.5568 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0894    0.6034   -0.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1113    0.1671   -1.2391 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2823   -0.1021   -0.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0786   -1.1815    0.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2617    1.9910   -0.8776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2822    3.0003   -0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2324   -2.0572    0.9786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1494   -2.5723   -0.4214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1743   -1.1133   -0.6099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7101   -1.4823    1.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8382   -0.0754    1.3156 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3905    0.6500    0.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6380    0.8178   -0.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0285   -0.4136   -1.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6615   -0.7753    1.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3999   -1.9906    0.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0836   -1.6355    0.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4909    2.1283   -1.9146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5363    3.9871   -0.3924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0528    2.8776    1.0212 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