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
-2.1936 0.3183 -0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0046 -0.5580 0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2701 0.1836 0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2489 1.3880 -0.2206 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5550 -0.4507 0.3647 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6837 0.2241 0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3416 1.0793 0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0940 -0.2326 -0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9118 0.9076 -0.9453 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0185 -1.3831 -0.4885 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0743 -0.9850 1.3174 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5841 -1.4903 0.6637 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6716 1.2584 -0.0746 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6251 -0.2595 0.4029 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