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
   -3.2030   -0.9602    0.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8790   -0.3430    0.5184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1563   -0.0518   -0.6419 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0566    0.5134   -0.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0658   -0.2867   -0.7760 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9114   -0.7837    0.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9628   -1.6326   -0.4783 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1409    1.8620   -0.8636 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0811    2.9538   -0.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1116   -2.0638    0.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0379   -0.6488    0.7525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4852   -0.6452   -0.9473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0320    0.6118    1.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2603   -1.0713    1.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1405    0.5876    0.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3726   -1.3391    0.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351    0.0957    0.6456 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9784   -1.4369   -0.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.6965   -0.3792 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0041   -1.3906   -1.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541    1.9031   -1.9396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0324    2.8776    0.9349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1402    3.9453   -0.5640 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