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
   -2.5678   -0.9591    0.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7732   -0.7670   -0.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4270   -0.7745   -0.4327 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1733    0.4765    0.5949 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0967    0.2361    0.5778 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6443   -0.9002    0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1488   -0.7850    0.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0312    1.6051   -0.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2234    2.7816   -0.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2004   -0.0541    0.7712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9346   -1.1599    1.5491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2812   -1.8065    0.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0533    0.1736   -1.1537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0350   -1.5965   -1.2785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1470    0.6608    0.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4841   -0.9379   -1.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2683   -1.8450    0.4954 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6998   -1.0397   -0.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4479    0.2447    0.5111 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5030   -1.4818    1.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1865    1.2296   -1.5701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4470    2.9998    0.8205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1851    3.6995   -0.8404 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