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
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
-2.3302 0.6194 0.6136 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7673 1.2337 -0.6304 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0400 0.3740 -1.4148 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0614 -0.1801 -0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2612 0.1355 -1.3828 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1370 0.8376 -0.5804 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4890 0.0513 0.6665 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1775 -1.6374 -0.6702 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4862 -2.1950 0.4982 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8108 -0.3651 0.4412 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1693 1.2951 0.9541 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6144 0.6122 1.4611 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2062 2.1421 -0.3293 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6240 1.5950 -1.2392 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0874 0.2267 0.2407 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6579 1.7897 -0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0616 1.1288 -1.0651 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7371 0.2007 1.4396 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5281 0.3163 1.0229 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5551 -1.0527 0.4547 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1185 -2.3285 -1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5624 -1.5441 1.3877 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6691 -3.2550 0.6337 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