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
   -1.9991    1.3966   -0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2771    0.2602    0.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1340   -0.1879    1.2511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1579   -0.6721    0.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9957    0.0530    0.5959 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4660    0.7465   -0.4807 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7418    1.4623   -0.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1235   -2.1254    0.6536 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1282   -2.9882   -0.3451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9447    1.9476   -0.4897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2539    2.1055    0.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6065    1.0617   -1.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9126    0.7031    1.4766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8898   -0.5296    0.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5552   -0.5702   -0.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8186    1.4949   -0.9261 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8062    0.0782   -1.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3521    1.7840   -0.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4024    2.3603    0.5332 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3118    0.7900    0.6695 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214   -2.4548    1.6583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0683   -2.6793   -1.3641 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3312   -4.0365   -0.1643 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