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
    3.4100   -0.8531   -0.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1785    0.0526   -0.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181   -0.5091    0.5213 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0162    0.1748    0.5377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0527   -0.6177    0.1133 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6763   -0.1100   -1.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8081   -1.0597   -1.3619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3271    0.7021    1.8821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1263    1.7502    1.9692 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2508   -1.8047   -0.7008 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2443   -0.3117   -0.6174 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5991   -1.1300    0.9003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -0.0393   -1.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    1.0895   -0.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310    1.0516   -0.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1034    0.8970   -0.8634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9660   -0.0295   -1.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958   -0.4941   -1.7295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1633   -1.6211   -0.4675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5137   -1.8103   -2.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0397    0.2781    2.8089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5107    2.1984    1.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4254    2.1959    2.9095 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