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
-3.2030 -0.9602 0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8790 -0.3430 0.5184 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1563 -0.0518 -0.6419 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0566 0.5134 -0.2478 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0658 -0.2867 -0.7760 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9114 -0.7837 0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9628 -1.6326 -0.4783 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1409 1.8620 -0.8636 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0811 2.9538 -0.1386 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1116 -2.0638 0.1725 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0379 -0.6488 0.7525 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4852 -0.6452 -0.9473 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0320 0.6118 1.0564 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2603 -1.0713 1.0986 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1405 0.5876 0.8541 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3726 -1.3391 0.9924 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4351 0.0957 0.6456 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9784 -1.4369 -0.0804 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -2.6965 -0.3792 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0041 -1.3906 -1.5598 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2541 1.9031 -1.9396 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0324 2.8776 0.9349 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1402 3.9453 -0.5640 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