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
   -2.3789   -1.9909    0.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3961   -0.8944    0.4895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8099   -0.4449   -0.6653 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1151    0.5577   -0.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3153    0.1505   -1.0879 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3818    0.1263   -0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1946   -0.8021    0.9492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3276    1.8156   -1.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875    2.8142   -0.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2281   -2.0463    0.8275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8974   -2.9917    0.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7695   -1.7698   -0.9176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6271   -1.3878    1.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9047   -0.0826    1.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2021    0.7985    0.5648 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5939    1.1673    0.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2664   -0.2096   -0.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2117   -1.1130    1.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6996   -1.7476    0.6585 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6623   -0.2914    1.7898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1814    1.8991   -2.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1944    3.6944   -1.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0400    2.7484    0.4472 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