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
    1.5868   -1.5059    0.8042 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8978   -0.0981    0.4649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1606    0.5443   -0.4634 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1702    0.7176   -0.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9320    0.3538   -1.3386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9837   -0.4792   -1.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5464   -1.8118   -0.6169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4520    2.1896    0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4912    3.0269    0.4001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5586   -2.1924   -0.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7184   -1.6656    1.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4642   -1.8678    1.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9528    0.5241    1.3900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9738   -0.1015    0.0978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4960    0.2046    0.6487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5865   -0.6492   -2.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6707   -0.0412   -0.3893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4280   -1.7807    0.4815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5587   -2.0247   -1.0611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2877   -2.6214   -0.8947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4664    2.5361    0.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125    2.6951    0.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2614    4.0474    0.6271 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