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
-1.8205 0.2730 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6872 -0.5416 0.6043 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2451 -1.0568 -0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1242 -2.0416 -1.1190 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5473 -0.4978 -0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9909 0.5121 0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6672 0.1864 0.7259 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5533 1.3503 -0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1370 -0.0981 -0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2411 0.0923 1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1607 -1.4058 1.1697 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1964 -0.9331 -1.3959 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9830 0.9082 -0.1362 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4284 1.0112 0.8345 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