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
-2.2193 0.1089 0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9326 -0.5468 -0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2552 0.2477 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0873 1.3504 0.7301 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5798 -0.2645 -0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6830 0.4103 0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1490 0.8157 0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9829 -0.6608 0.4425 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6325 0.6257 -0.7448 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8294 -1.5383 0.3168 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8579 -0.7381 -1.3117 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7159 -1.2188 -0.6098 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6712 0.0358 -0.0126 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6113 1.3728 0.6891 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