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
   -2.4922    0.2661    1.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2695    0.0742    1.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2129    0.8538    1.4302 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1543    0.5664    0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4452    0.0545    0.0428 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4868   -1.2320   -0.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9352   -1.6578   -0.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0040    1.7034   -0.7737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8362    1.7340   -1.8024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5036   -0.4661    0.2052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3913    0.1444    1.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4340    1.2874    0.5760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0240   -1.0067    1.9039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4982    0.3965    2.9158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5226   -0.2498   -0.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0360   -1.2987   -1.4862 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9402   -1.9699    0.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3854   -1.4458   -1.5206 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0196   -2.7209   -0.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5673   -1.0761    0.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6015    2.5900   -0.6027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4519    0.8685   -1.9991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310    2.5845   -2.4578 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