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
   -3.2080   -1.0221   -0.7079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8892   -0.2990   -0.8445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2600   -0.3098    0.3947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0298    0.3370    0.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0181   -0.4831    0.7436 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0054   -0.5371   -0.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1464   -1.4239    0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1040    1.4402    1.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0071    2.6860    0.9654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6728   -0.6652    0.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0960   -2.1203   -0.6973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9140   -0.6999   -1.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2544   -0.6751   -1.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1441    0.7730   -1.0588 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2089    0.7373   -0.6453 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5742   -0.9119   -1.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4147    0.4705   -0.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0534   -1.1741   -0.4391 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9098   -2.5047    0.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4219   -1.2033    1.2166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2389    1.1827    2.3867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0629    3.4991    1.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1282    2.9037   -0.0846 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