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
   -2.6739   -0.0104    0.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9088   -0.6608   -1.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727    0.1217   -1.4937 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0143    0.3791   -0.4675 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3120   -0.0430   -0.7774 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6822   -0.9463    0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0774   -1.4843   -0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1210    1.8480   -0.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1512    2.3282    1.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7506    1.1050   -0.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2740   -0.2342    1.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7398   -0.3766    0.0659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5061   -1.6361   -0.6467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6064   -0.8538   -1.8443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483   -0.1099    0.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -1.7487    0.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6188   -0.4148    1.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2883   -1.5673   -1.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7833   -0.8243    0.5469 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1162   -2.4809    0.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4234    2.5497   -0.9495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0650    3.3854    1.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4570    1.6744    1.8220 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