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
-1.8707 -0.2508 0.9443 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1267 0.1950 -0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2502 0.5603 0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4527 1.6779 0.5799 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3462 -0.3495 -0.1469 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5758 -0.0310 0.1919 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9675 -0.1884 0.8129 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5616 0.3975 1.7578 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5999 -1.3189 1.1863 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6883 1.0511 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1508 -0.6500 -1.0418 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1558 -1.3133 -0.5939 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3963 -0.7088 0.0344 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7886 0.9291 0.6399 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