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
-2.1446 -0.8695 1.0358 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2922 0.1576 -0.0523 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1925 0.2983 -0.8564 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0313 0.6774 -0.2326 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9472 -0.2809 -0.4911 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4985 -0.8050 0.6556 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5425 -1.8280 0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5097 1.9544 -0.8308 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0903 2.3686 -2.0103 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6360 -1.7730 0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5813 -0.4662 1.9154 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1396 -1.2298 1.3711 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1396 -0.1549 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6166 1.1009 0.4332 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1639 0.8141 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7170 -1.1995 1.3102 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0279 -0.0096 1.2436 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1399 -2.8559 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0235 -1.6280 -0.6762 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3508 -1.8287 1.0635 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2416 2.4810 -0.2349 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6473 1.7875 -2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4959 3.2893 -2.4160 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