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
    2.5430   -1.0339    0.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4052   -1.5813   -0.6462 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6953   -0.6013   -1.3233 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1421    0.3187   -0.4352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2356    0.2261   -0.5711 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8642   -0.2117    0.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3605   -0.2609    0.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6712    1.6471   -0.7766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9912    2.5277    0.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5333   -1.1689   -0.3519 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5419   -1.5948    1.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4616    0.0384    0.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8076   -2.3234   -1.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6601   -2.1245   -0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4262    0.0103    0.5945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6922    0.5200    1.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5501   -1.2014    0.9173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9663   -0.1740    1.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6351    0.5208   -0.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6277   -1.2399   -0.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8025    1.9124   -1.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8688    2.2852    1.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819    3.5091   -0.0785 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