Monomers
Methyl vinyl ketone
Identifiers
IUPAC name
but-3-en-2-one
InchI
InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3
InchI Key
FUSUHKVFWTUUBE-UHFFFAOYSA-N
SMILES
CC(=O)C=C
Canonical SMILES
CC(=O)C=C
Isomeric SMILES
CC(=O)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H6O
Heavy Atom Count
5
Molecular Weight
70.091
Exact Molecular Weight
70.0419
Valence Electrons
28
Radical Electrons
0
tPSA
17.07
MolLogP
0.7614
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
11 10 0 0 0 0 0 0 0 0999 V2000
-1.2659 0.3350 0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2868 0.7344 -0.4385 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5944 1.7657 -1.1180 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9507 0.0378 -0.6962 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3059 -1.0300 -0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1830 -0.7102 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2862 0.4902 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1987 0.9886 1.5058 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6173 0.3893 -1.4648 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7057 -1.4656 0.7771 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2354 -1.5351 -0.2274 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 2 3
1 6 1 0
1 7 1 0
1 8 1 0
4 9 1 0
5 10 1 0
5 11 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers