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
    2.1237    0.0128    1.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8971   -0.6020   -0.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1640    0.2605   -0.9913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0818    0.5934   -0.5093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    0.1848   -1.3583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9475   -0.7305   -0.9302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2961   -2.0363   -0.5256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1349    2.0251   -0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8839    2.5110    0.8347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4321    0.8459    1.3588 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1483    0.3793    1.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9053   -0.7913    1.8988 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9207   -0.6487   -0.7021 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5454   -1.6310   -0.1679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2140    0.0374    0.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6299   -0.4195   -0.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6215   -0.9924   -1.7981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5189   -2.3323   -1.2666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8027   -1.9504    0.4761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0589   -2.8627   -0.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4785    2.7197   -0.6807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8611    3.5687    1.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5055    1.8586    1.4027 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