Monomers
Ethyl vinyl ketone
Identifiers
IUPAC name
pent-1-en-3-one
InchI
InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3
InchI Key
JLIDVCMBCGBIEY-UHFFFAOYSA-N
SMILES
CCC(=O)C=C
Canonical SMILES
CCC(=O)C=C
Isomeric SMILES
CCC(=O)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O
Heavy Atom Count
6
Molecular Weight
84.118
Exact Molecular Weight
84.0575
Valence Electrons
34
Radical Electrons
0
tPSA
17.07
MolLogP
1.1515
H Bond Acceptors
1
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
14 13 0 0 0 0 0 0 0 0999 V2000
-2.1500 0.3332 0.5985 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9517 -0.5860 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2291 0.1740 0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1346 1.3936 -0.2201 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5376 -0.4507 -0.0818 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5961 0.2171 -0.5064 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8971 1.1834 1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2697 0.7720 -0.4152 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0494 -0.1487 0.9737 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1877 -1.3812 -0.1863 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7367 -1.0015 1.5526 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6521 -1.5023 0.1609 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5384 1.2646 -0.7616 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5544 -0.2675 -0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
5 6 2 3
1 7 1 0
1 8 1 0
1 9 1 0
2 10 1 0
2 11 1 0
5 12 1 0
6 13 1 0
6 14 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers